input word = C00039745

Metabolite InformationStructural formula
Name Melitric acid A
Formula C27H22O12
Mw 538.11112617
CAS RN 153765-45-8
C_ID C00039745 ,
InChIKey MZSGWZGPESCJAN-IYMCDAKFNA-N
InChICode InChI=1S/C27H22O12/c28-17-5-1-15(10-19(17)30)12-23(26(34)35)38-22-7-3-14(9-21(22)32)4-8-25(33)39-24(27(36)37)13-16-2-6-18(29)20(31)11-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-/t24-/m1/s1
SMILES c1c(cc(c(c1)O/C(=C\c1ccc(c(c1)O)O)/C(=O)O)O)/C=C/C(=O)O[C@H](Cc1ccc(c(c1)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMelissa officinalis Ref.
PlantaeLabiataeSalvia officinalis Ref.
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