input word = C00046861

Metabolite InformationStructural formula
Name Polasterol A
(-)-Polasterol A
Formula C30H48O2
Mw 440.36543078
CAS RN 290353-68-3
C_ID C00046861 ,
InChIKey RZWRLBVGWQAKNS-CWSAPWRONA-N
InChICode InChI=1S/C30H48O2/c1-18(2)23(19(3)4)9-8-20(5)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-22(31)16-21(29)17-27(28)32/h8-9,17-20,22-26,28,31H,10-16H2,1-7H3/b9-8+/t20-,22-,24+,25-,26-,28-,29-,30+/m0/s1
SMILES C1[C@@H](CC2=CC(=O)[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3CC[C@@H]1[C@H](/C=C/C(C(C)C)C(C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHalichondriidaeEpipolasis sp. Ref.
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OrganismEpipolasis sp.
ReferenceUmeyama,J.Nat.Prod.,63,(2000),1175