(Q105103615)

English

(5S)-5-methyl-3-[(2R,12R)-2,9,12-trihydroxy-12-[(5Z)-5-(1-hydroxytetradecylidene)oxolan-2-yl]dodecyl]oxolan-2-one

group of stereoisomers with the chemical formula C₃₅H₆₄O₇

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Statements

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)CC1CC(O)CCCCCCC(O)CCC(O)C2OC(=C(O)CCCCCCCCCCCCC)CC2

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isomeric SMILES

CCCCCCCCCCCCC/C(O)=C1\CCC([C@H](O)CCC(O)CCCCCC[C@@H](O)CC2C[C@H](C)OC2=O)O1

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found in taxon

Annona muricata

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stated in

Five novel mono-tetrahydrofuran ring acetogenins from the seeds of Annona muricata

stated in

Five novel mono-tetrahydrofuran ring acetogenins from the seeds of Annona muricata

Identifiers

InChI

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-17-20-31(38)33-23-24-34(42-33)32(39)22-21-29(36)18-15-13-14-16-19-30(37)26-28-25-27(2)41-35(28)40/h27-30,32,34,36-39H,3-26H2,1-2H3/b33-31-/t27-,28?,29?,30+,32+,34?/m0/s1

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InChIKey

DBUDRCQCHXNZEX-HZLZFNIGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DBUDRCQCHXNZEX-HZLZFNIGSA-N

1 reference

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