input word = C00034129

Metabolite InformationStructural formula
Name Phanginin I
(+)-Phanginin I
Formula C21H28O4
Mw 344.19875938
CAS RN 1011528-66-7
C_ID C00034129 ,
InChIKey BLIFHPAPEJACQS-BRUSBHHYNA-N
InChICode InChI=1S/C21H28O4/c1-13-14-5-6-18-20(2,19(23)24-3)8-4-9-21(18,12-22)16(14)11-17-15(13)7-10-25-17/h7,10,12-14,16,18H,4-6,8-9,11H2,1-3H3/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)C=O)C)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia sappan Linn. Ref.
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