input word = C00031644

Metabolite InformationStructural formula
Name Caesalmin C
Formula C26H34O8
Mw 474.22536806
CAS RN 29934-86-9
C_ID C00031644 ,
InChIKey LNEQDVOGNPILGB-MUOPNRJSNA-N
InChICode InChI=1S/C26H34O8/c1-13-17-9-11-31-19(17)12-18-21(13)22(33-15(3)28)23(34-16(4)29)26(30)24(5,6)10-8-20(25(18,26)7)32-14(2)27/h9,11,18,20-23,30H,1,8,10,12H2,2-7H3/t18-,20-,21-,22+,23-,25-,26+/m0/s1
SMILES C=C1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
PlantaeFabaceaeCaesalpinia minax Ref.
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