input word = C00034130

Metabolite InformationStructural formula
Name Phanginin J
(+)-Phanginin J
Formula C21H26O5
Mw 358.17802394
CAS RN 1011528-67-8
C_ID C00034130 ,
InChIKey LJLAEZBPAANDEF-WNHVFZLMNA-N
InChICode InChI=1S/C21H26O5/c1-13-14-4-5-18-20(11-22,16(14)10-17-15(13)6-9-26-17)7-3-8-21(18,12-23)19(24)25-2/h6,9,11-14,16,18H,3-5,7-8,10H2,1-2H3/t13-,14+,16+,18-,20+,21+/m1/s1
SMILES c12c([C@@H]([C@H]3[C@H](C1)[C@@]1([C@@H](CC3)[C@@](CCC1)(C(=O)OC)C=O)C=O)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia sappan Linn. Ref.
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OrganismCaesalpinia sappan Linn.
ReferenceYodsaoue,Phytochem.,69,(2008),1242