input word = C00063670

Metabolite InformationStructural formula
Name Oleanderol
Formula C30H48O3
Mw 456.3603454
CAS RN 114906-01-3
C_ID C00063670
InChIKey MGVRARFPKYMFHG-ZFTKPFTMSA-N
InChICode InChI=1S/C30H48O3/c1-19(2)20-9-14-29(17-31)15-16-30(18-32)21(25(20)29)7-8-23-27(5)12-11-24(33)26(3,4)22(27)10-13-28(23,30)6/h7,20,22-25,31-33H,1,8-18H2,2-6H3/t20-,22-,23+,24-,25+,27-,28+,29+,30-/m0/s1
SMILES C=C(C)C1CCC2(CO)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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