input word = C00039951

Metabolite InformationStructural formula
Name Perforaquassin A
Formula C21H26O5
Mw 358.17802394
CAS RN 175617-16-0
C_ID C00039951 ,
InChIKey NONFZPSUEXXTLT-WTBRPONANA-N
InChICode InChI=1S/C21H26O5/c1-10-6-14(22)18-20(3)13(10)9-17(23)26-16(20)8-12-11(2)7-15(25-5)19(24)21(12,18)4/h6-7,11-13,16,18H,8-9H2,1-5H3/t11-,12-,13-,16+,18-,20+,21-/m0/s1
SMILES C1(=C[C@@H]([C@H]2[C@](C1=O)([C@@H]1[C@]3([C@@H](C2)OC(=O)C[C@H]3C(=CC1=O)C)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
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OrganismHarrisonia abyssinica
ReferenceRajab,Phytochem.,52,(1999),127