input word = C00048488

Metabolite InformationStructural formula
Name Neocaesalpin P
(+)-Neocaesalpin P
Formula C29H34O6
Mw 478.23553882
CAS RN 1132772-57-6
C_ID C00048488 ,
InChIKey ATXDIAGUPUENCR-UMRUZFDJNA-N
InChICode InChI=1S/C29H34O6/c1-17-19-15-23(31)34-21(19)16-20-24(17)25(32)26(29(33)27(2,3)13-8-14-28(20,29)4)35-22(30)12-11-18-9-6-5-7-10-18/h5-7,9-12,15-17,20,24-26,32-33H,8,13-14H2,1-4H3/b12-11+/t17-,20+,24-,25+,26+,28+,29+/m0/s1
SMILES C[C@H]1C2=CC(=O)OC2=C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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