(Q82919713)

English

2-methyl-4-[(2R,13R)-2,6,10,13-tetrahydroxy-13-[5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₅H₆₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

612.460119008 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₄O₈

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canonical SMILES

O=C1OC(C=C1CC(O)CCCC(O)CCCC(O)CCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@@H](O)C1CCC([C@H](O)CCC(O)CCCC(O)CCC[C@@H](O)CC2=CC(C)OC2=O)O1

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found in taxon

Annona muricata

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stated in

Two new mono-tetrahydrofuran ring acetogenins, annomuricin E and muricapentocin, from the leaves of Annona muricata

Identifiers

InChI

InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-19-31(39)33-22-23-34(43-33)32(40)21-20-29(37)17-13-15-28(36)16-14-18-30(38)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26?,28?,29?,30-,31-,32-,33?,34?/m1/s1

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InChIKey

OGJFDIKXSQSEIB-WZUBUVAVSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101371095

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(Q82919713)

2-methyl-4-[(2R,13R)-2,6,10,13-tetrahydroxy-13-[5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

Statements

Identifiers

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