(Q105179694)

English

2-methyl-4-[12-[3-[2-[3-[(Z)-tetradec-3-enyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2H-furan-5-one

group of stereoisomers with the chemical formula C₃₇H₆₄O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

572.480460528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₄O₄

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canonical SMILES

O=C1OC(C=C1CCCCCCCCCCCCC2OC2CCC3OC3CCC=CCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC/C=C\CCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O

1 reference

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Acetogenins from seeds of Annona reticulata

Ophrypetalum odoratum

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stated in

Ophrypetalin and Other Annonaceous Acetogenins FromOphrypetalum Odoratum

Identifiers

InChI

InChI=1S/C37H64O4/c1-3-4-5-6-7-8-9-10-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h17,20,30-31,33-36H,3-16,18-19,21-29H2,1-2H3/b20-17-

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InChIKey

NHZOCAXASXRFNX-JZJYNLBNSA-N

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17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NHZOCAXASXRFNX-JZJYNLBNSA-N

1 reference

Human Metabolome Database ID

HMDB0029792

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NHZOCAXASXRFNX-JZJYNLBNSA-N

(Q105179694)

2-methyl-4-[12-[3-[2-[3-[(Z)-tetradec-3-enyl]oxiran-2-yl]ethyl]oxiran-2-yl]dodecyl]-2H-furan-5-one

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Identifiers

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