input word = C00043183

Metabolite InformationStructural formula
Name 3alpha-Hydroxyolean-12-ene
Formula C30H50O
Mw 426.38616622
CAS RN 6811-63-8
C_ID C00043183 ,
InChIKey JFSHUTJDVKUMTJ-QDUSBGTHNA-N
InChICode InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24+,27+,28-,29+,30+/m0/s1
SMILES C1[C@@H]2[C@](CCC1(C)C)(CC[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@H](C1(C)C)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeSapium haematospermum Ref.
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OrganismSapium haematospermum
ReferenceWoldemichael,J.Nat.Prod.,67,(2004),598