input word = C00058302

Metabolite InformationStructural formula
Name Torvonin A
Formula C39H64O12
Mw 724.43977751
CAS RN 99956-65-7
C_ID C00058302
InChIKey DRHJMJVSLJEJHE-UHFFFAOYSA-N
InChICode InChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3
SMILES CC12C(C3CC(O)C4CC(CCC4(C3CC2)C)OC5C(C(C(C(O5)C)O)O)OC6C(O)C(O)C(O)C(C)O6)CC7C1C(C)C8(OCC(C)CC8)O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
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