input word = C00003712

Metabolite InformationStructural formula
Name Glaucarubolone
Formula C20H26O8
Mw 394.16276781
CAS RN 1990-01-8
C_ID C00003712 ,
InChIKey FJHVIRYYVWNHSM-QWFJNKOPNA-N
InChICode InChI=1S/C20H26O8/c1-7-4-10(21)15(24)18(3)9(7)5-11-19-6-27-20(26,17(18)19)14(23)8(2)12(19)13(22)16(25)28-11/h4,8-9,11-15,17,22-24,26H,5-6H2,1-3H3/t8-,9+,11-,12-,13-,14-,15-,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@@H]([C@H]3[C@H]([C@H]([C@@]1(OC4)O)O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeCastela nicholsonii Ref.
PlantaeSimaroubaceaeCastela polyandra Ref.
PlantaeSimaroubaceaeEurycoma harmandiana Ref.
PlantaeSimaroubaceaePerriera madagascariensis Ref.
PlantaeSimaroubaceaeQuassia simarouba Ref.
PlantaeSimaroubaceaeQuassia undulata Ref.
--Simba cedron Ref.
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OrganismSimba cedron
ReferenceOzeki,J.Nat.Prod.,61,(1998),776