input word = C00061515

Metabolite InformationStructural formula
Name 5-(Benzoyloxy)-2-[3,4-bis(benzoyloxy)phenyl]-7-hydroxy-4H-1-benzopyran-4-one
Formula C36H22O9
Mw 598.1263823
CAS RN 34293-65-7
C_ID C00061515
InChIKey TVSKPQHVAGICDC-UHFFFAOYSA-N
InChICode InChI=1S/C36H22O9/c37-26-19-31-33(32(20-26)45-36(41)24-14-8-3-9-15-24)27(38)21-29(42-31)25-16-17-28(43-34(39)22-10-4-1-5-11-22)30(18-25)44-35(40)23-12-6-2-7-13-23/h1-21,37H
SMILES O=C(Oc1ccc(-c2cc(=O)c3c(OC(=O)c4ccccc4)cc(O)cc3o2)cc1OC(=O)c1ccccc1)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
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