input word = C00063703

Metabolite InformationStructural formula
Name Kanerin
Formula C29H44O4
Mw 456.32395989
CAS RN 120396-45-4
C_ID C00063703
InChIKey ZSCQHBMUQSGYRW-UHFFFAOYSA-N
InChICode InChI=1S/C29H44O4/c1-17-9-12-28(24(31)32)15-13-25(4)20(23(28)18(17)2)7-8-22-26(25,5)14-16-29(33)19(3)21(30)10-11-27(22,29)6/h17,20-22,30,33H,3,7-16H2,1-2,4-6H3,(H,31,32)
SMILES C=C1C(O)CCC2(C)C3CCC4C5=C(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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