input word = C00003711

Metabolite InformationStructural formula
Name Glaucarubinone
Formula C25H34O10
Mw 494.21519731
CAS RN 1259-86-5
C_ID C00003711 ,
InChIKey WRBGCYVAJRRQKP-FAAGSCLTNA-N
InChICode InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/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@@H]([C@H]3[C@H]([C@H]([C@@]1(OC4)O)O)C)OC(=O)[C@](CC)(O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus excelsa Ref.
PlantaeSimaroubaceaeAilanthus triphylla Ref.
PlantaeSimaroubaceaeAllanthus excelsa Ref.
PlantaeSimaroubaceaePerriera madagascariensis Ref.
PlantaeSimaroubaceaePierreodendron kerstingii Little. Ref.
PlantaeSimaroubaceaeQuassia simarouba Ref.
PlantaeSimaroubaceaeQuassia undulata Ref.
--Simarouba glauca Ref.
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OrganismQuassia simarouba
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58