input word = C00049183

Metabolite InformationStructural formula
Name Isoanhydrobelachinal
(+)-Isoanhydrobelachinal
Formula C30H44O4
Mw 468.32395989
CAS RN 219827-11-9
C_ID C00049183 ,
InChIKey RPXRCEJKIKHRBO-RZVPWHGDNA-N
InChICode InChI=1S/C30H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30-27(14-9-17-33-28(30)34-25)26(24(5)20-31)15-16-29(30,6)32/h8,10,12-13,18,20,25,27-28,32H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24+/t25-,27-,28-,29+,30+/m1/s1
SMILES C1C/C(=C(/C)\C=O)/[C@@H]2[C@]3([C@]1(O)C)[C@H](OCCC2)O[C@@H](C3)/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeBelamcanda chinensis Ref.
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OrganismBelamcanda chinensis
ReferenceIto,J.Nat.Prod.,62,(1999),89