input word = C00047812

Metabolite InformationStructural formula
Name Clinopodic acid F
(+)-Clinopodic acid F
Formula C28H24O12
Mw 552.12677623
CAS RN 1174920-58-1
C_ID C00047812 ,
InChIKey WBCYJTQLKQPOTQ-ZIMABBCPNA-N
InChICode InChI=1S/C28H24O12/c1-37-21-11-15(2-6-18(21)30)12-23(27(33)34)38-24(32)9-4-14-3-8-20-22(10-14)40-26(28(35)36)25(39-20)16-5-7-17(29)19(31)13-16/h2-11,13,23,25-26,29-31H,12H2,1H3,(H,33,34)(H,35,36)/b9-4+/t23-,25-,26-/m1/s1
SMILES COc1cc(C[C@@H](OC(=O)/C=C/c2ccc3c(c2)O[C@@H](C(=O)O)[C@@H](c2ccc(O)c(O)c2)O3)C(=O)O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClinopodium chinense var. parviflorum Ref.
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