(Q105171611)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

anthracycline polyketide

0 references

mass

546.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₀O₉

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canonical SMILES

O=C1C2=CC=C(C(O)=C2C(=O)C=3C=C4C(=O)CC(O)(C)CC4=C(O)C13)C5OC(C)C(CC5)C6OC(C(=O)C=C6)C

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isomeric SMILES

C[C@@H]1O[C@@H]([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

0 references

found in taxon

Streptomyces

2 references

stated in

Cytotoxic antibiotic angucyclines and actinomycins from the Streptomyces sp. XZHG99T

stated in

Cytotoxic, Anti-Migration, and Anti-Invasion Activities on Breast Cancer Cells of Angucycline Glycosides Isolated from a Marine-Derived Streptomyces sp.

Identifiers

InChI

InChI=1S/C31H30O9/c1-13-15(23-9-7-21(32)14(2)40-23)6-8-24(39-13)16-4-5-17-25(27(16)34)29(36)19-10-18-20(30(37)26(19)28(17)35)11-31(3,38)12-22(18)33/h4-5,7,9-10,13-15,23-24,34,37-38H,6,8,11-12H2,1-3H3/t13-,14+,15+,23-,24-,31-/m1/s1

0 references

InChIKey

MTCKNNSCGSBGFO-KGRLKVQMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MTCKNNSCGSBGFO-KGRLKVQMSA-N

(Q105171611)

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

Statements

Identifiers

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