input word = C00045133

Metabolite InformationStructural formula
Name Vaticinone
(+)-Vaticinone
Formula C29H44O2
Mw 424.33413065
CAS RN 503064-28-6
C_ID C00045133 ,
InChIKey SRSDDLZWQZWBBZ-DPMPCTLGNA-N
InChICode InChI=1S/C29H44O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-23H,8,10-18H2,1-6H3/b9-7+/t19-,21-,22+,23+,26-,27+,28-,29+/m1/s1
SMILES C1C(=O)C([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@@H](C/C=C/C(=O)C)C)C)C)C3)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipterocarpaceaeVatica cinerea Ref.
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