input word = C00040915

Metabolite InformationStructural formula
Name Ceanothetric acid
Formula C30H44O7
Mw 516.30870376
CAS RN 196102-60-0
C_ID C00040915 ,
InChIKey BAXRQVCGTADURA-YUWXDMLENA-N
InChICode InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20-,21+,22-,27+,28-,29-,30+/m0/s1
SMILES C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](C(=O)O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeHovenia trichocarea Ref.
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OrganismHovenia trichocarea
ReferenceYoshikawa,Phytochem.,49,(1998),2057