input word = C00043334

Metabolite InformationStructural formula
Name Caesalpinin MD
(-)-Caesalpinin MD
Formula C26H34O8
Mw 474.22536806
CAS RN 817168-15-3
C_ID C00043334 ,
InChIKey JFKZQGISTANGQM-QNPSRNDQNA-N
InChICode InChI=1S/C26H34O8/c1-13-17-8-9-31-20(17)11-19-18(13)10-22(33-15(3)28)26(30)24(5,6)12-21(32-14(2)27)23(25(19,26)7)34-16(4)29/h11,21-23,30H,8-10,12H2,1-7H3/t21-,22-,23-,25-,26+/m0/s1
SMILES [C@H]1([C@]2([C@](C(C[C@@H]1OC(=O)C)(C)C)([C@H](Cc1c2cc2c(c1C)CCO2)OC(=O)C)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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