(Q105297831)

English

(3S,7R)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

1 reference

based on heuristic

inferred from SMILES

mass

354.073952788 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,7S)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,4,9,11,14,16,18-heptaen-13-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₁₄O₇

0 references

canonical SMILES

O=C1C=2C(O)=CC=C(OC)C2OC=3C1=C(OC)C=C4OC5OC=CC5C43

0 references

isomeric SMILES

COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@@H]1C=CO[C@@H]1O4

0 references

found in taxon

Aspergillus versicolor

2 references

stated in

Aspergillus Toxins

stated in

5-Methoxysterigmatocystin, a metabolite from a mutant strain of Aspergillus versicolor

Identifiers

InChI

InChI=1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3/t8-,19+/m0/s1

0 references

InChIKey

VVRUNWFPOWIBDY-WPCRTTGESA-N

0 references

CAS Registry Number

22897-08-1

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VVRUNWFPOWIBDY-WPCRTTGESA-N

ChEBI ID

191267

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3/t8-,19+/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

VVRUNWFPOWIBDY-WPCRTTGESA-N

UNII

QW57FXA2G2

1 reference

matched by identifier from

InChIKey

VVRUNWFPOWIBDY-WPCRTTGESA-N

Probes And Drugs ID

PD011384

0 references

(Q105297831)

(3S,7R)-15-hydroxy-11,18-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one

Statements

Identifiers

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