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 C1[C@H]2[C@]([C@]3([C@H](C1)[C@@]1([C@@H](CC3)C([C@H]([C@@H]1C(=O)O)O)(C)C)C)C)(CC[C@@]1([C@H]2[C@@H](CC1)C(=C)C)C(=O)O)C(=O)O
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