input word = C00047810

Metabolite InformationStructural formula
Name Clinopodic acid C
(-)-Clinopodic acid C
Formula C27H22O12
Mw 538.11112617
CAS RN 1174920-56-9
C_ID C00047810 ,
InChIKey KPKHMGUZUPELJC-YWWGQMHCNA-N
InChICode InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22-,24+,25+/m1/s1
SMILES c12c(ccc(c1)/C=C/C(=O)O[C@H](Cc1ccc(c(c1)O)O)C(=O)O)O[C@H]([C@H](O2)C(=O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClinopodium chinense var. parviflorum Ref.
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OrganismClinopodium chinense var. parviflorum
ReferenceMurata,J.Nat.Prod.,72,(2009),1379