(Q105143228)

English

2-methyl-4-[(13R)-2,7,13-trihydroxy-13-[(5R)-5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₅H₆₄O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

596.465204388 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₄O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCC(O)CCCCCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCCC(O)[C@H]1CCC([C@H](O)CCCCCC(O)CCCCC(O)CC2=CC(C)OC2=O)O1

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found in taxon

Annona reticulata

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stated in

Acetogenins from seeds of Annona reticulata

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(36)19-16-17-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27?,29?,30?,31?,32-,33-,34?/m1/s1

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InChIKey

KMWNDWVUJGIBII-BCPOQPCESA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

KMWNDWVUJGIBII-BCPOQPCESA-N

1 reference

(Q105143228)

2-methyl-4-[(13R)-2,7,13-trihydroxy-13-[(5R)-5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one

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Identifiers

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