input word = C00047520

Metabolite InformationStructural formula
Name Neoabieslactone C
(+)-Neoabieslactone C
Formula C30H44O4
Mw 468.32395989
CAS RN 1159913-83-3
C_ID C00047520 ,
InChIKey BQTXBPMCEMDQEK-SFIRZKGCNA-N
InChICode InChI=1S/C30H44O4/c1-18-16-29(33-24(18)32)17-19(2)30(34-29)15-14-27(6)21-8-9-22-25(3,4)23(31)11-12-26(22,5)20(21)10-13-28(27,30)7/h18-19,22H,8-17H2,1-7H3/t18-,19-,22+,26-,27+,28+,29-,30+/m1/s1
SMILES C1C2=C([C@]3([C@](C1)([C@@]1(CC3)O[C@]3(C[C@H]1C)OC(=O)[C@@H](C3)C)C)C)CC[C@@H]1[C@@]2(CCC(=O)C1(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeAbies chensiensis Ref.
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