input word = C00053038

Metabolite InformationStructural formula
Name Cleroden D
Formula C36H32O15
Mw 704.17412036
CAS RN 2068111-29-3
C_ID C00053038
InChIKey VAFVTUFLHRUWOC-JBAZONHKSA-N
InChICode InChI=1S/C36H32O15/c37-20-6-1-16(2-7-20)12-26(34(45)46)50-28(42)10-5-18-14-21-29(19-4-9-23(39)25(41)15-19)31(30(18)33(44)32(21)43)36(49)51-27(35(47)48)13-17-3-8-22(38)24(40)11-17/h1-11,14-15,21,26-27,29-31,33,37-41,44H,12-13H2,(H,45,46)(H,47,48)/b10-5+/t21-,26+,27+,29-,30+,31+,33-/m0/s1
SMILES O=C(/C=C/C1=C[C@@H]2C(=O)[C@@H](O)[C@H]1[C@H](C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@H]2c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)cc1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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