input word = C00056544

Metabolite InformationStructural formula
Name Kakidiol
Formula C29H42O2
Mw 422.31848058
CAS RN 1169833-81-1
C_ID C00056544
InChIKey NOMDWAAODUIOPI-LJAWVBNOSA-N
InChICode InChI=1S/C29H42O2/c1-18-7-8-20-11-15-28(5)21(25(20)19(18)2)9-10-23-26(3)14-13-24(31)27(4,17-30)22(26)12-16-29(23,28)6/h7-9,22-24,30-31H,10-17H2,1-6H3/t22-,23-,24-,26+,27-,28-,29-/m1/s1
SMILES Cc1ccc2c(c1C)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
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OrganismDiospyros kaki
ReferenceChen, G. et al., Chem. Pharm. Bull., 2009, 57, 532-535 (Kakidiol)