(Q105195424)

English

(2R)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(Z,1S,4S,5S)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[2-hydroxy-9-[5-[(E)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

4-[2-hydroxy-9-[5-(1,4,5-trihydroxynonadec-8-enyl)oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-4-[(2S)-2-hydroxy-9-[(2R,5R)-5-[(Z,1S,4R,5S)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(Z,1S,4R,5S)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(E,1S,4R,5S)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCC2OC(CC2)C(O)CCC(O)C(O)CCC=CCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC/C=C\CC[C@H](O)[C@@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCCCC[C@@H](O)CC2=C[C@@H](C)OC2=O)O1

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found in taxon

Annona glabra

1 reference

stated in

Acetogenins from Annona glabra seeds

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-15-13-14-17-20-31(38)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12-/t29-,31-,32-,33+,34+,35+,36+/m1/s1

0 references

InChIKey

OOKJEMBYFZCLNC-VSPCLRCDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OOKJEMBYFZCLNC-VSPCLRCDSA-N

1 reference

(Q105195424)

(2R)-4-[(2R)-2-hydroxy-9-[(2R,5S)-5-[(Z,1S,4S,5S)-1,4,5-trihydroxynonadec-8-enyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

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