input word = C00045967

Metabolite InformationStructural formula
Name Gardenogenin A
(+)-Gardenogenin A
Formula C11H14O6
Mw 242.07903818
CAS RN 87561-42-0
C_ID C00045967 ,
InChIKey QEGAWOPOQXLXMR-ZSGUNKHDNA-N
InChICode InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5-,6-,7-,9-,10+,11+/m1/s1
SMILES COC(=O)[C@H]1[C@H]2C=C[C@@]3(O)CO[C@@H](O[C@H]1O)[C@@H]23
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeRothmannia macrophylla Ref.
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