input word = C00003707

Metabolite InformationStructural formula
Name Chaparrinone
Formula C20H26O7
Mw 378.16785319
CAS RN 22611-34-3
C_ID C00003707 ,
InChIKey VLYMLZRDCSQUQF-XDCRXBCDNA-N
InChICode InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,9-11,13,15-17,23-25H,5-7H2,1-3H3/t9-,10+,11+,13-,15-,16-,17-,18-,19-,20+/m1/s1
SMILES C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)C[C@H]3[C@H]([C@H]([C@@]1(OC4)O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
PlantaeSimaroubaceaeEurycoma harmandiana Ref.
PlantaeSimaroubaceaeHannoa klaineana Ref.
PlantaeSimaroubaceaeQuassia undulata Ref.
--Simba cedron Ref.
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OrganismQuassia undulata
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58