(Q105007281)

English

[(2S,3S,4S)-3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo[g]chromen-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

348.084517472 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₁₆O₈

0 references

canonical SMILES

O=C(OC1C=2C(=O)C3=C(O)C=C(OC)C=C3C(=O)C2OC(C)C1O)C

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isomeric SMILES

COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](OC(C)=O)[C@@H](O)[C@H](C)O1

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found in taxon

Ustilago

1 reference

stated in

Gunacin, a new quinone antibiotic from Ustilago sp

Identifiers

InChI

InChI=1S/C17H16O8/c1-6-13(20)16(25-7(2)18)12-15(22)11-9(14(21)17(12)24-6)4-8(23-3)5-10(11)19/h4-6,13,16,19-20H,1-3H3/t6-,13-,16-/m0/s1

0 references

InChIKey

GEQDLVXKRXTSSY-PHWARTASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GEQDLVXKRXTSSY-PHWARTASSA-N

ChEBI ID

223625

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H16O8/c1-6-13(20)16(25-7(2)18)12-15(22)11-9(14(21)17(12)24-6)4-8(23-3)5-10(11)19/h4-6,13,16,19-20H,1-3H3/t6-,13-,16-/m0/s1

1 reference

Natural Product Atlas ID

NPA021070

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GEQDLVXKRXTSSY-PHWARTASSA-N

(Q105007281)

[(2S,3S,4S)-3,6-dihydroxy-8-methoxy-2-methyl-5,10-dioxo-3,4-dihydro-2H-benzo[g]chromen-4-yl] acetate

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Identifiers

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