input word = C00064028

Metabolite InformationStructural formula
Name Withaoxylactone
Formula C28H38O8
Mw 502.25666819
CAS RN 173693-56-6
C_ID C00064028
InChIKey DVMRXXYECRHVNS-FMANVOTASA-N
InChICode InChI=1S/C28H38O8/c1-12-7-19(34-24(33)14(12)11-29)13(2)16-8-21-27(35-21)17-9-22-28(36-22)23(32)18(30)10-20(31)26(28,4)15(17)5-6-25(16,27)3/h13,15-19,21-23,29-30,32H,5-11H2,1-4H3/t13-,15-,16+,17+,18-,19+,21-,22+,23-,25+,26-,27-,28-/m0/s1
SMILES CC1=C(CO)C(=O)OC(C(C)C2CC3OC34C3CC5OC56C(O)C(O)CC(=O)C6(C)C3CCC24C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania coagulans Ref.
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