input word = C00047522

Metabolite InformationStructural formula
Name Neoabieslactone E
(+)-Neoabieslactone E
Formula C30H42O4
Mw 466.30830983
CAS RN 1159913-85-5
C_ID C00047522 ,
InChIKey WEQIMNLYAOTTFY-ODONIKNGNA-N
InChICode InChI=1S/C30H42O4/c1-18(16-30(33)17-19(2)25(32)34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h10,17-18,23,33H,8-9,11-16H2,1-7H3/t18-,23-,27-,28-,29+,30+/m1/s1
SMILES C1C2=C([C@]3([C@](C1)(C(=CC3)[C@H](C)C[C@]1(C=C(C(=O)O1)C)O)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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