(Q104168046)

English

methyl 2-[4,6-dihydroxy-8-(7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate

group of stereoisomers with the chemical formula C₃₃H₂₆O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

630.137340892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₂₆O₁₃

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canonical SMILES

O=C1C2=CC(=CC(O)=C2C(=O)C3=C1C(OC(CC(=O)OC)C3O)C)C=4C=C(O)C=5C(=O)C6=C(C(=O)C5C4)C(OC7CC(=O)OC67)C

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found in taxon

Micromonospora cinerea

1 reference

stated in

GTRI-BB, a new cytotoxic isochromanquinone produced by Micromonospora sp. SA-246.

Identifiers

InChI

InChI=1S/C33H26O13/c1-10-22-26(30(40)18(44-10)8-20(36)43-3)31(41)24-14(28(22)38)4-12(6-16(24)34)13-5-15-25(17(35)7-13)32(42)27-23(29(15)39)11(2)45-19-9-21(37)46-33(19)27/h4-7,10-11,18-19,30,33-35,40H,8-9H2,1-3H3

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InChIKey

HODQAOCEAGGJKA-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HODQAOCEAGGJKA-UHFFFAOYSA-N

(Q104168046)

methyl 2-[4,6-dihydroxy-8-(7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate

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Identifiers

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