input word = C00064595

Metabolite InformationStructural formula
Name 3beta-Hydroxy-2,3-dihydrowithanolide F
Formula C28H40O7
Mw 488.27740363
CAS RN 87168-24-9
C_ID C00064595
InChIKey BQRGHHNBIPOTTJ-DVKLICRISA-N
InChICode InChI=1S/C28H40O7/c1-15-12-22(35-23(31)16(15)2)26(5,32)28(34)11-10-27(33)20-7-6-17-13-18(29)14-21(30)25(17,4)19(20)8-9-24(27,28)3/h6,18-20,22,29,32-34H,7-14H2,1-5H3/t18-,19+,20-,22-,24+,25+,26+,27-,28-/m1/s1
SMILES CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC=C5CC(O)CC(=O)C5(C)C4CCC32C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
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