Chemical Structure Search
Search by chemical structure
Results 1 — 30 of approximately 45 results
PHUB000584 Score: 1.0 | Chicoric acid precursor | C22H18O12 Mono mass: 474.07982602 | |
PHUB000579 Score: 0.984 | Caffeoyl tartaric acid precursor | C13H12O9 Mono mass: 312.048131966 | |
PHUB000580 Score: 0.984 | Caftaric acid precursor | C13H12O9 Mono mass: 312.048131966 | |
PHUB000611 Score: 0.923 | Feruloyl tartaric acid precursor | C14H14O9 Mono mass: 326.063782031 | |
PHUB000596 Score: 0.918 | Coumaroyl tartaric acid (p-) precursor | C13H12O8 Mono mass: 296.053217346 | |
PHUB000595 Score: 0.902 | Coumaroyl malic acid (p-) precursor | C13H12O7 Mono mass: 280.058302726 | |
PHUB002635 Score: 0.843 | 1,4-O-Dicaffeoylquinic acid 1182-34-9 precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB000512 Score: 0.831 | 1,3-Dicaffeoylquinic acid 30964-13-7 precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB000513 Score: 0.831 | 1,5-Dicaffeoylquinic acid 30964-13-7 precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB000603 Score: 0.831 | Dicaffeoylquinic acid precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB001922 Score: 0.831 | 1,3-O-Dicaffeoylquinic acid 30964-13-7 precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB000514 Score: 0.829 | 1-O-Caffeoylquinic acid 928005-87-2 precursor | C16H18O9 Mono mass: 354.09508216 | |
PHUB000525 Score: 0.817 | 3,4-Dicaffeoylquinic acid precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB000536 Score: 0.817 | 4,5-Dicaffeoylquinic acid precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB000537 Score: 0.806 | 4-O-Caffeoylquinic acid 905-99-7 precursor | C16H18O9 Mono mass: 354.09508216 | |
PHUB002607 Score: 0.803 | Caffeoyl-glycerol | C12H14O6 Mono mass: 254.079038171 | |
PHUB002854 Score: 0.803 | Caffeic acid glycerol ester precursor | C12H14O6 Mono mass: 254.079038171 | |
PHUB000528 Score: 0.803 | 3,5-Dicaffeoylquinic acid precursor | C25H24O12 Mono mass: 516.126776213 | |
PHUB000530 Score: 0.803 | 3-O-Caffeoylquinic acid 327-97-9 precursor | C16H18O9 Mono mass: 354.09508216 | |
PHUB000585 Score: 0.803 | 5-O-Caffeoylquinic acid 906-33-2 precursor | C16H18O9 Mono mass: 354.09508216 | |
PHUB000625 Score: 0.803 | Neochlorogenic acid precursor | C16H18O9 Mono mass: 354.09508216 | |
PHUB000620 Score: 0.796 | Isochlorogenic acid b precursor | C26H26O11 Mono mass: 514.147511657 | |
PHUB002471 Score: 0.789 | 4-Caffeoylquinic-1,5-lactone | C16H16O8 Mono mass: 336.084517475 | |
PHUB002512 Score: 0.789 | 4-O-Caffeoyl-1,5-quinide precursor | C16H16O8 Mono mass: 336.084517475 | |
PHUB000526 Score: 0.773 | 3,4-Diferuloylquinic acid precursor | C27H28O12 Mono mass: 544.158076342 | |
PHUB002511 Score: 0.77 | 3-O-Caffeoyl-1,5-quinide precursor | C16H16O8 Mono mass: 336.084517475 | |
PHUB002460 Score: 0.768 | Coumaroyl quinic acid precursor | C16H18O8 Mono mass: 338.10016754 | |
PHUB002605 Score: 0.768 | Dehydroxy-chlorogenic acid | C16H18O8 Mono mass: 338.10016754 | |
PHUB000541 Score: 0.762 | 4-Feruloylquinic acid precursor | C17H20O9 Mono mass: 368.110732224 | |
PHUB000529 Score: 0.76 | 3,5-Diferuloylquinic acid precursor | C27H28O12 Mono mass: 544.158076342 | |
PHUB000531 Score: 0.76 | 3-Feruloylquinic acid 87099-72-7 precursor | C17H20O9 Mono mass: 368.110732224 | |
PHUB000550 Score: 0.76 | 5-Feruloylquinic acid precursor | C17H20O9 Mono mass: 368.110732224 | |
PHUB000546 Score: 0.753 | 4-Sinapoylquinic acid precursor | C18H22O10 Mono mass: 398.121296908 | |
PHUB000535 Score: 0.752 | 3-Sinapoylquinic acid precursor | C18H22O10 Mono mass: 398.121296908 | |
PHUB000562 Score: 0.752 | 5-Sinapoylquinic acid precursor | C18H22O10 Mono mass: 398.121296908 |