input word = C00003724

Metabolite InformationStructural formula
Name Picrasin C
Formula C23H34O7
Mw 422.23045344
CAS RN 33804-89-6
C_ID C00003724 ,
InChIKey XTAVFXFXCFHNNF-IHMXQQATNA-N
InChICode InChI=1S/C23H34O7/c1-10-7-15(25)21(27)23(5)13(10)8-16-22(4)14(9-17(26)30-16)11(2)18(28-6)19(20(22)23)29-12(3)24/h10-11,13-16,18-20,25H,7-9H2,1-6H3/t10-,11-,13+,14+,15+,16-,18+,19-,20+,22-,23+/m1/s1
SMILES CO[C@H]1[C@H](C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H]([C@@H]1OC(C)=O)[C@@]32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePicrasma ailanthoides Ref.
PlantaeSimaroubaceaePicrasma quassioides Ref.
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OrganismPicrasma ailanthoides
ReferenceH. Daigo et al., Chem. Abs., (1995), 123, 52294.