(Q104994805)

English

(2S)-4-[(2S)-2-hydroxy-7-[(2R,5S)-5-[(1R,4S,5R,6S)-1,4,5,6-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

612.460119008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₄O₈

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCC2OC(CC2)C(O)CCC(O)C(O)C(O)CCCCCCCCCCCCC)C

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isomeric SMILES

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

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found in taxon

Annona muricata

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stated in

Natural acetogenins from annonaceae, synthesis and mechanisms of action

Identifiers

InChI

InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-12-16-19-31(38)34(40)32(39)22-21-30(37)33-23-20-29(43-33)18-15-13-14-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3/t26-,28-,29+,30+,31-,32-,33-,34+/m0/s1

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InChIKey

FGCDKPLSSBIFSL-QUWMOZAKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FGCDKPLSSBIFSL-QUWMOZAKSA-N

1 reference

(Q104994805)

(2S)-4-[(2S)-2-hydroxy-7-[(2R,5S)-5-[(1R,4S,5R,6S)-1,4,5,6-tetrahydroxynonadecyl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one

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