input word = C00054967

Metabolite InformationStructural formula
Name Dammadienol
Formula C30H50O
Mw 426.38616622
CAS RN 20460-34-8
C_ID C00054967
InChIKey FHVRTHIWQBTFQE-CDEXHJJRSA-N
InChICode InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10-11,22-26,31H,9,12-19H2,1-8H3/b21-11+/t22-,23-,24+,25-,26+,28+,29-,30-/m1/s1
SMILES CC(C)=CC/C=C(C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula helenium Ref.
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OrganismInula helenium
ReferenceMills, J.S.JCS, 1956, 2196 (isol)