input word = C00047813

Metabolite InformationStructural formula
Name Clinopodic acid G
(+)-Clinopodic acid G
Formula C29H26O12
Mw 566.1424263
CAS RN 1174920-59-2
C_ID C00047813 ,
InChIKey ZMVVNRHMWPOVBT-AAIZZKELNA-N
InChICode InChI=1S/C29H26O12/c1-37-21-12-16(3-7-18(21)30)13-24(28(33)34)39-25(32)10-5-15-4-9-20-23(11-15)41-27(29(35)36)26(40-20)17-6-8-19(31)22(14-17)38-2/h3-12,14,24,26-27,30-31H,13H2,1-2H3,(H,33,34)(H,35,36)/b10-5+/t24-,26-,27-/m1/s1
SMILES c12c(ccc(c1)/C=C/C(=O)O[C@H](Cc1ccc(c(c1)OC)O)C(=O)O)O[C@@H]([C@@H](O2)C(=O)O)c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClinopodium chinense var. parviflorum Ref.
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