(Q105151500)

English

(2S)-4-[(2S)-2-hydroxy-7-[(2S,5R)-5-[(Z,1R,8S,9R)-1,8,9-trihydroxyhenicos-4-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

3-(2-hydroxy-7-{5-[(4E)-1,8,9-trihydroxyhenicos-4-en-1-yl]oxolan-2-yl}heptyl)-5-methyl-5H-furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

622.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₆O₇

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC2OC(CC2)C(O)CCC=CCCC(O)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

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

0 references

found in taxon

Annona coriacea

1 reference

stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-17-22-33(39)34(40)23-18-12-13-19-24-35(41)36-26-25-32(44-36)21-16-14-15-20-31(38)28-30-27-29(2)43-37(30)42/h12-13,27,29,31-36,38-41H,3-11,14-26,28H2,1-2H3/b13-12-/t29-,31-,32-,33+,34-,35+,36+/m0/s1

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InChIKey

LGOXIUCRKMEOAH-GVFWSBHYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGOXIUCRKMEOAH-GVFWSBHYSA-N

(Q105151500)

(2S)-4-[(2S)-2-hydroxy-7-[(2S,5R)-5-[(Z,1R,8S,9R)-1,8,9-trihydroxyhenicos-4-enyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

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