(Q113958815)

English

(3R)-3,5,10-trihydroxy-3-methyl-9-[(2R,5S,6R)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxo-2,6-dihydropyran-2-yl]oxy}oxan-2-yl]-2,4-dihydrotetracene-1,6,11-trione

chemical compound

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instance of

type of chemical entity

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subclass of

anthracycline polyketide

1 reference

based on heuristic

inferred from SMILES

mass

562.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₀O₁₀

0 references

canonical SMILES

O=C1C2=CC=C(C(O)=C2C(=O)C=3C=C4C(=O)CC(O)(C)CC4=C(O)C13)C5OC(C)C(OC6OC(C(=O)C=C6)C)CC5

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@H]2CC[C@H](c3ccc4c(c3O)C(=O)c3cc5c(c(O)c3C4=O)C[C@@](C)(O)CC5=O)O[C@@H]2C)C=CC1=O

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found in taxon

Streptomyces

1 reference

stated in

Cytotoxic antibiotic angucyclines and actinomycins from the Streptomyces sp. XZHG99T

Identifiers

InChI

InChI=1S/C31H30O10/c1-13-20(32)6-9-24(40-13)41-22-7-8-23(39-14(22)2)15-4-5-16-25(27(15)34)29(36)18-10-17-19(30(37)26(18)28(16)35)11-31(3,38)12-21(17)33/h4-6,9-10,13-14,22-24,34,37-38H,7-8,11-12H2,1-3H3/t13-,14+,22-,23+,24-,31+/m0/s1

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InChIKey

KEMMNOCSPAKHCE-GVAYYHKASA-N

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ChEBI ID

220328

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C31H30O10/c1-13-20(32)6-9-24(40-13)41-22-7-8-23(39-14(22)2)15-4-5-16-25(27(15)34)29(36)18-10-17-19(30(37)26(18)28(16)35)11-31(3,38)12-21(17)33/h4-6,9-10,13-14,22-24,34,37-38H,7-8,11-12H2,1-3H3/t13-,14+,22-,23+,24-,31+/m0/s1

Natural Product Atlas ID

NPA032870

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KEMMNOCSPAKHCE-GVAYYHKASA-N

(Q113958815)

(3R)-3,5,10-trihydroxy-3-methyl-9-[(2R,5S,6R)-6-methyl-5-{[(2R,6S)-6-methyl-5-oxo-2,6-dihydropyran-2-yl]oxy}oxan-2-yl]-2,4-dihydrotetracene-1,6,11-trione

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