input word = C00063728

Metabolite InformationStructural formula
Name Kanerocin
Formula C30H46O3
Mw 454.34469533
CAS RN 123828-62-6
C_ID C00063728
InChIKey RBFOSCYAOQGETI-IBSLXNBYSA-N
InChICode InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h10,20-23,31H,8-9,11-17H2,1-7H3,(H,32,33)/t20-,21+,22-,23-,27+,28-,29-,30+/m1/s1
SMILES CC1=CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2=C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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