input word = C00064083

Metabolite InformationStructural formula
Name Nerizoside
Formula C31H46O8
Mw 546.31926845
CAS RN 190381-18-1
C_ID C00064083
InChIKey RICACBKPZFLFFK-VFBKJSQWSA-N
InChICode InChI=1S/C31H46O8/c1-17-25(33)26(35-4)27(36-5)28(38-17)39-20-8-11-29(2)19(15-20)6-7-23-22(29)9-12-30(3)21(10-13-31(23,30)34)18-14-24(32)37-16-18/h10,14,17,19-20,22-23,25-28,33-34H,6-9,11-13,15-16H2,1-5H3/t17-,19-,20+,22+,23-,25+,26+,27-,28+,29+,30-,31+/m1/s1
SMILES COC1C(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)=CCC43O)C2)OC(C)C(O)C1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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