amarogentin
Molecular Formula:
C29H30O13
InChI: InChI=1/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
InChIKey: InChIKey=DBOVHQOUSDWAPQ-WTONXPSSBG
SMILES: [H][C@@]12CCOC(=O)C1=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)C4=C(C=C(O)C=C4O)C5=CC=CC(O)=C5)[C@@H]2C=C
Names:
Amarogentin
amarogentin
[(2S,3R,4S,5S,6R)-2-[[(1S,9S,10S)-10-ethenyl-5-oxo-4,8-dioxabicyclo[4.4.0]dec-6-en-9-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Registries:
PubChem CID 115149
ChEBI 2622
Kegg C09767
PubChem ID 10236655
PubChem ID 11955
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