(Q105280134)

English

1,3,8-Trihydroxy-2-[(S)-1-methoxyhexyl]-6-methoxy-7-bromo-9,10-anthraquinone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-Bromo-1,6,8-trihydroxy-3-methoxy-7-(1-methoxyhexyl)anthracene-9,10-dione

1 reference

based on heuristic

inferred from SMILES

mass

478.062715176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₃BrO₇

0 references

canonical SMILES

O=C1C2=CC(O)=C(C(O)=C2C(=O)C3=C(O)C(Br)=C(OC)C=C13)C(OC)CCCCC

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isomeric SMILES

CCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Br)c1O)C2=O

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found in taxon

Aspergillus

2 references

stated in

Halogenated anthraquinones from the marine-derived fungus Aspergillus sp. SCSIO F063.

stated in

Halogenated anthraquinones from the marine-derived fungus Aspergillus sp. SCSIO F063.

Identifiers

InChI

InChI=1S/C22H23BrO7/c1-4-5-6-7-13(29-2)17-12(24)8-10-15(21(17)27)20(26)16-11(19(10)25)9-14(30-3)18(23)22(16)28/h8-9,13,24,27-28H,4-7H2,1-3H3/t13-/m0/s1

0 references

InChIKey

UVVVGQUPTFFAPV-ZDUSSCGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UVVVGQUPTFFAPV-ZDUSSCGKSA-N

ChEBI ID

222857

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H23BrO7/c1-4-5-6-7-13(29-2)17-12(24)8-10-15(21(17)27)20(26)16-11(19(10)25)9-14(30-3)18(23)22(16)28/h8-9,13,24,27-28H,4-7H2,1-3H3/t13-/m0/s1

1 reference

Natural Product Atlas ID

NPA012099

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UVVVGQUPTFFAPV-ZDUSSCGKSA-N

(Q105280134)

1,3,8-Trihydroxy-2-[(S)-1-methoxyhexyl]-6-methoxy-7-bromo-9,10-anthraquinone

Statements

Identifiers

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