(Q76507156)

English

[(7S,8S,8aS)-7-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate

chemical compound

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type of chemical entity

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subclass of

(7-hydroxy-7-methyl-6-oxo-3-prop-1-enyl-8,8a-dihydro-1H-isochromen-8-yl) 2,4-dihydroxy-6-methylbenzoate

1 reference

based on heuristic

inferred from SMILES

mass

386.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂O₇

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canonical SMILES

O=C(OC1C2C(=CC(=O)C1(O)C)C=C(OC2)C=CC)C=3C(O)=CC(O)=CC3C

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isomeric SMILES

C/C=C/C1=CC2=CC(=O)[C@@]([C@H]([C@@H]2CO1)OC(=O)C3=C(C=C(C=C3C)O)O)(C)O

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found in taxon

Talaromyces aculeatus

1 reference

stated in

Bioactive Azaphilone Derivatives from the Fungus Talaromyces aculeatus.

Aspergillus

1 reference

stated in

A New Hydrogenated Azaphilone Sch 725680 from Aspergillus sp.

Talaromyces pinophilus

1 reference

stated in

Azaphilone and Diphenyl Ether Derivatives from a Gorgonian-Derived Strain of the Fungus Penicillium pinophilum

Identifiers

InChI

InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1

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InChIKey

HNVJWWBKFFDQAA-DAYKGMGPSA-N

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PubChem CID

16059797

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matched by identifier from

InChIKey

HNVJWWBKFFDQAA-DAYKGMGPSA-N

ChEBI ID

208390

mapping relation type

exact match

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matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,26)19(15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,26H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1

1 reference

Natural Product Atlas ID

NPA013777

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HNVJWWBKFFDQAA-DAYKGMGPSA-N

(Q76507156)

[(7S,8S,8aS)-7-hydroxy-7-methyl-6-oxo-3-[(E)-prop-1-enyl]-8,8a-dihydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate

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