(Q105205166)

English

[(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3-chloro-4-hydroxy-2-methoxy-6-methylbenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

azaphilone

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mass

436.12888082 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₅ClO₇

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canonical SMILES

O=C(OC1(C(=O)C=C2C=C(OCC2C1O)CCC)C)C3=C(OC)C(Cl)=C(O)C=C3C

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isomeric SMILES

CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)c(Cl)c3OC)[C@@H](O)[C@@H]2CO1

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found in taxon

Aspergillus falconensis

1 reference

stated in

Hydrogenated azaphilones from Emericella falconensis and E. fruticulosa

Identifiers

InChI

InChI=1S/C22H25ClO7/c1-5-6-13-8-12-9-16(25)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(24)18(23)19(17)28-4/h7-9,14,20,24,26H,5-6,10H2,1-4H3/t14-,20+,22+/m1/s1

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InChIKey

PBGJTGKTJYFCAO-XDCJIHQESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBGJTGKTJYFCAO-XDCJIHQESA-N

(Q105205166)

[(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 3-chloro-4-hydroxy-2-methoxy-6-methylbenzoate

Statements

Identifiers

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