input word = C00042327

Metabolite InformationStructural formula
Name Caesalpinin F
(+)-Caesalpinin F
Formula C23H30O7
Mw 418.19915331
CAS RN 853302-66-6
C_ID C00042327 ,
InChIKey FGVVZVPAVGZHMX-XOCLXVQKNA-N
InChICode InChI=1S/C23H30O7/c1-12(24)30-18-10-14-15(11-16-13(7-9-29-16)19(14)20(26)28-5)22(4)17(25)6-8-21(2,3)23(18,22)27/h7,9,14-15,18-19,27H,6,8,10-11H2,1-5H3/t14-,15-,18-,19+,22-,23+/m0/s1
SMILES C1(=O)[C@]2([C@](C(CC1)(C)C)([C@H](C[C@H]1[C@@H]2Cc2c([C@H]1C(=O)OC)cco2)OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista Ref.
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