input word = C00047814

Metabolite InformationStructural formula
Name Clinopodic acid H
(+)-Clinopodic acid H
Formula C29H26O12
Mw 566.1424263
CAS RN 1016894-33-9
C_ID C00047814 ,
InChIKey YCXKATJNRMBGED-WNWDTJOBNA-N
InChICode InChI=1S/C29H26O12/c1-38-21-11-15(3-6-18(21)30)12-23(28(34)35)40-24(33)8-4-14-9-17-25(29(36)37)26(41-27(17)20(32)10-14)16-5-7-19(31)22(13-16)39-2/h3-11,13,23,25-26,30-32H,12H2,1-2H3,(H,34,35)(H,36,37)/b8-4+/t23-,25-,26-/m1/s1
SMILES COc1cc(C[C@@H](OC(=O)/C=C/c2cc(O)c3c(c2)[C@H](C(=O)O)[C@@H](c2ccc(O)c(OC)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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