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 [H][C@@]12[C@@](C)(CC[C@]([C@@](C)(CO)[C@H](O)CC3)([H])[C@@]23C)[C@]4(C)CCC5=CC=C(C)C(C)=C5C4=CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
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