input word = C00003710

Metabolite InformationStructural formula
Name Glaucarubin
Formula C25H36O10
Mw 496.23084737
CAS RN 1448-23-3
C_ID C00003710 ,
InChIKey LZKVXMYVBSNXER-GGHHHMPNNA-N
InChICode InChI=1S/C25H36O10/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/h7,11-18,20,26-28,31-32H,6,8-9H2,1-5H3/t11-,12+,13+,14-,15-,16-,17-,18-,20-,22+,23-,24+,25+/m1/s1
SMILES [C@@H]1(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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaePierreodendron kerstingii Little. Ref.
PlantaeSimaroubaceaeQuassia simarouba Ref.
--Pierriera madagascariensis Ref.
--Simarouba glauca Ref.
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OrganismPierriera madagascariensis
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58