input word = C00032754

Metabolite InformationStructural formula
Name Baenzigeroside B
(+)-Baenzigeroside B
Formula C27H38O12
Mw 554.23632668
CAS RN 360778-15-0
C_ID C00032754 ,
InChIKey HQCSSBYQDUJZEE-XZDNHMEQNA-N
InChICode InChI=1S/C27H38O12/c1-26-9-14(13-6-8-35-12-13)38-23(32)18(26)15-10-27(2,22(37-15)24(33)34-3)17(26)5-4-7-36-25-21(31)20(30)19(29)16(11-28)39-25/h6,8,12,14-22,25,28-31H,4-5,7,9-11H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-,21+,22+,25+,26-,27+/m0/s1
SMILES [C@@H]1(OC(=O)[C@H]2[C@](C1)(C)[C@@H]([C@@]1([C@H](O[C@H]2C1)C(=O)OC)C)CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeTinospora baenzigeri Ref.
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