input word = C00029493

Metabolite InformationStructural formula
Name 3-Epimaslinic acid
Formula C30H48O4
Mw 472.35526002
CAS RN 26563-68-8
C_ID C00029493 ,
InChIKey MDZKJHQSJHYOHJ-GDPKHIPZNA-N
InChICode InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeCentella asiatica Ref.
PlantaeLabiataePerilla frutescens (L.) Britton var.japonica Hara Ref.
PlantaeLabiataeSalvia officinalis Ref.
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