(Q72515822)

English

Casegravol

chemical compound

(E)-8-(3,4-Dihydroxy-3-methyl-1-butenyl)-7-methoxy-2H-1-benzopyran-2-one

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Statements

type of chemical entity

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chemical compound

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276.099773612 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₆O₅

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canonical SMILES

COc1ccc2ccc(=O)oc2c1/C=C/C(C)(O)CO

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

COc1ccc2ccc(=O)oc2c1/C=C/C(C)(O)CO

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C15H16O5/c1-15(18,9-16)8-7-11-12(19-2)5-3-10-4-6-13(17)20-14(10)11/h3-8,16,18H,9H2,1-2H3/b8-7+

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XVVRFNCLKCYMPH-BQYQJAHWSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

0 references

1 reference

matched by identifier from

XVVRFNCLKCYMPH-BQYQJAHWSA-N

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