(Q104168299)

English

9-(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-5,10-dihydroxy-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrotetracene-1,6,11-trione

group of stereoisomers with the chemical formula C₄₃H₄₆O₁₅

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instance of

group of stereoisomers

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subclass of

anthracycline polyketide

1 reference

inferred from

anthracycline polyketide

mass

802.2836707720005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₄₆O₁₅

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canonical SMILES

O=C1C2=CC=C(C(O)=C2C(=O)C=3C=C4C(=O)CC(OC5OC(C)C(OC6OC(C(=O)C=C6)C)CC5)(C)CC4=C(O)C13)C7OC(C)C8OC9OC(C(=O)CC9OC8C7)C

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Identifiers

InChI

InChI=1S/C43H46O15/c1-17-26(44)8-10-33(52-17)56-29-9-11-34(53-19(29)3)58-43(5)15-25-23(28(46)16-43)12-24-36(40(25)50)38(48)22-7-6-21(37(47)35(22)39(24)49)30-14-31-41(20(4)51-30)57-42-32(55-31)13-27(45)18(2)54-42/h6-8,10,12,17-20,29-34,41-42,47,50H,9,11,13-16H2,1-5H3

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InChIKey

HQRAGKSDWBVQSM-UHFFFAOYSA-N

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PubChem CID

162816273

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HQRAGKSDWBVQSM-UHFFFAOYSA-N

(Q104168299)

9-(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)-5,10-dihydroxy-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrotetracene-1,6,11-trione

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