input word = C00003708

Metabolite InformationStructural formula
Name Chaparrolide
Formula C20H30O6
Mw 366.20423869
CAS RN 33512-38-8
C_ID C00003708 ,
InChIKey KBORUIMKALHADL-CXIPTCTINA-N
InChICode InChI=1S/C20H30O6/c1-8-5-12(21)18(25)20(4)10(8)6-13-19(3)11(7-14(22)26-13)9(2)15(23)16(24)17(19)20/h8-13,15,17-18,21,23,25H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,13-,15+,17+,18-,19-,20+/m1/s1
SMILES C[C@H]1[C@H](O)C(=O)[C@@H]2[C@@]3(C)[C@H](O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]1[C@@]23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeCastela nicholsonii Ref.
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OrganismCastela nicholsonii
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58