(Q105326113)

English

3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one

group of stereoisomers with the chemical formula C₂₇H₃₄O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

566.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₃

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canonical SMILES

O=C1C2=C(O)C=3C(O)=C(C(O)=C(OC4OC(C)C(O)C(O)C4)C3C=C2CC(C1O)C(OC)C(=O)C(O)C(O)C)C

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isomeric SMILES

COC(C(=O)C(O)C(C)O)C1Cc2cc3c(OC4C[C@H](O)[C@@H](O)[C@H](C)O4)c(O)c(C)c(O)c3c(O)c2C(=O)C1O

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found in taxon

Streptomyces

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stated in

Two novel C-glycosides of aureolic acid repress transcription of the MDR1 gene

Identifiers

InChI

InChI=1S/C27H34O13/c1-8-18(30)17-12(27(19(8)31)40-15-7-14(29)21(33)10(3)39-15)5-11-6-13(22(34)24(36)16(11)23(17)35)26(38-4)25(37)20(32)9(2)28/h5,9-10,13-15,20-22,26,28-35H,6-7H2,1-4H3/t9?,10-,13?,14-,15?,20?,21-,22?,26?/m0/s1

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InChIKey

XDXHDDZVZHSRTQ-PTVXLIRWSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

Natural Product Atlas ID

NPA012073

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XDXHDDZVZHSRTQ-PTVXLIRWSA-N

(Q105326113)

3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-5-[(4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2,6,8,9-tetrahydroxy-7-methyl-3,4-dihydro-2H-anthracen-1-one

Statements

Identifiers

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