(Q103817947)

English

3-Hydroxy-19,22-dimethoxy-7-methyl-10-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,12,16(25),18,20,22-nonaene-5,15,24,26-tetrone

group of stereoisomers with the chemical formula C₃₆H₃₄O₁₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

690.194855768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₄O₁₄

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canonical SMILES

O=C1OC(C)CC=2C(OC3OC(C)C(OC)C(OC)C3OC)=C4C=CC=5C(=O)C=6OC=7C(OC)=CC=C(OC)C7C(=O)C6C(=O)C5C4=C(O)C12

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found in taxon

Actinomadura

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stated in

IB-00208, a new cytotoxic polycyclic xanthone produced by a marine-derived Actinomadura. I. Isolation of the strain, taxonomy and biological activites.

Identifiers

InChI

InChI=1S/C36H34O14/c1-13-12-17-22(35(41)47-13)26(38)21-16(30(17)50-36-34(46-7)33(45-6)29(44-5)14(2)48-36)9-8-15-20(21)27(39)24-28(40)23-18(42-3)10-11-19(43-4)31(23)49-32(24)25(15)37/h8-11,13-14,29,33-34,36,38H,12H2,1-7H3

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InChIKey

CQLYGPZACBJXSX-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CQLYGPZACBJXSX-UHFFFAOYSA-N

ChEBI ID

220311

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C36H34O14/c1-13-12-17-22(35(41)47-13)26(38)21-16(30(17)50-36-34(46-7)33(45-6)29(44-5)14(2)48-36)9-8-15-20(21)27(39)24-28(40)23-18(42-3)10-11-19(43-4)31(23)49-32(24)25(15)37/h8-11,13-14,29,33-34,36,38H,12H2,1-7H3

1 reference

Natural Product Atlas ID

NPA011651

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CQLYGPZACBJXSX-UHFFFAOYSA-N

(Q103817947)

3-Hydroxy-19,22-dimethoxy-7-methyl-10-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxy-6,17-dioxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,12,16(25),18,20,22-nonaene-5,15,24,26-tetrone

Statements

Identifiers

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