input word = C00034353

Metabolite InformationStructural formula
Name Yuankanin
Formula C27H30O14
Mw 578.16355567
CAS RN 77099-20-8
C_ID C00034353 ,
InChIKey ZKIXACXWZQFVAB-VGNDEYBINA-N
InChICode InChI=1S/C27H30O14/c1-36-13-6-17-20(14(29)8-16(39-17)11-2-4-12(28)5-3-11)18(7-13)40-27-25(35)23(33)22(32)19(41-27)10-38-26-24(34)21(31)15(30)9-37-26/h2-8,15,19,21-28,30-35H,9-10H2,1H3/t15-,19+,21-,22+,23-,24-,25+,26-,27+/m0/s1
SMILES [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)Oc1c2c(cc(c1)OC)oc(cc2=O)c1ccc(cc1)O)CO[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeGnidia involucrata Ref.
PlantaeThymelaeaceaeStruthiola argentea Ref.
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