input word = C00019714

Metabolite InformationStructural formula
Name Madhucic acid
Formula C38H60O5
Mw 596.44407503
CAS RN 771531-45-4
C_ID C00019714 ,
InChIKey JKDKWICYSPHZGM-MNGPTGSQNA-N
InChICode InChI=1S/C38H60O5/c1-9-10-11-12-13-14-30(40)43-29-16-17-35(6)28(34(29,4)5)15-18-37(8)31(35)27(39)23-25-26-24-33(2,3)19-21-38(26,32(41)42)22-20-36(25,37)7/h23,26,28-29,31H,9-22,24H2,1-8H3,(H,41,42)/t26-,28-,29-,31+,35-,36+,37+,38-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)OC(=O)CCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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