input word = C00060090

Metabolite InformationStructural formula
Name Melitric acid B
Formula C27H20O11
Mw 520.10056148
CAS RN 153765-46-9
C_ID C00060090
InChIKey QKDZPQYDQYXJCV-YIZZYABDSA-N
InChICode InChI=1S/C27H20O11/c28-17-5-1-15(9-19(17)30)12-23(26(33)34)37-25(32)8-4-14-3-7-21-22(11-14)38-27(35)24(36-21)13-16-2-6-18(29)20(31)10-16/h1-11,13,23,28-31H,12H2,(H,33,34)/b8-4+,24-13-/t23-/m1/s1
SMILES O=C(C=Cc1ccc2c(c1)OC(=O)C(=Cc1ccc(O)c(O)c1)O2)OC(Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMelissa officinalis Ref.
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