input word = C00047519

Metabolite InformationStructural formula
Name Neoabieslactone B
(+)-Neoabieslactone B
Formula C30H48O4
Mw 472.35526002
CAS RN 1159913-82-2
C_ID C00047519 ,
InChIKey IQWUFDBPSLWCGM-SVWDYRGPNA-N
InChICode InChI=1S/C30H48O4/c1-18-16-20(34-25(18)32)17-19(2)30(33)15-14-28(6)22-8-9-23-26(3,4)24(31)11-12-27(23,5)21(22)10-13-29(28,30)7/h18-20,23-24,31,33H,8-17H2,1-7H3/t18-,19-,20+,23+,24-,27-,28+,29+,30+/m1/s1
SMILES C[C@@H]1C[C@@H](C[C@@H](C)[C@@]2(O)CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeAbies chensiensis Ref.
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