(Q105151993)

English

(2S)-4-[(2S,5R)-2,5-dihydroxy-5-[(2R,5R)-5-[(1R,3R,5S,8S,9R)-1,3,5,8,9-pentahydroxyhenicosyl]oxolan-2-yl]pentyl]-2-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-[2,5-Dihydroxy-5-[[5-(1,3,5,8,9-pentahydroxyhenicosyl)tetrahydrofuran]-2-yl]pentyl]-5-methyl-2(5H)-furanone

1 reference

based on heuristic

inferred from SMILES

4-[(5S)-2,5-dihydroxy-5-[(2R,5R)-5-[(1R)-1,3,5,8,9-pentahydroxyhenicosyl]oxolan-2-yl]pentyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

644.449948248 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-4-[(2R,5S)-2,5-dihydroxy-5-[(2R,5R)-5-[(1R,3R,5R,8S,9R)-1,3,5,8,9-pentahydroxyhenicosyl]oxolan-2-yl]pentyl]-2-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₆₄O₁₀

0 references

canonical SMILES

O=C1OC(C=C1CC(O)CCC(O)C2OC(CC2)C(O)CC(O)CC(O)CCC(O)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

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

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found in taxon

Annona coriacea

1 reference

stated in

Annonaceous acetogenins: recent progress

Identifiers

InChI

InChI=1S/C35H64O10/c1-3-4-5-6-7-8-9-10-11-12-13-29(39)30(40)16-14-27(37)22-28(38)23-32(42)34-19-18-33(45-34)31(41)17-15-26(36)21-25-20-24(2)44-35(25)43/h20,24,26-34,36-42H,3-19,21-23H2,1-2H3/t24-,26-,27-,28+,29+,30-,31+,32+,33+,34+/m0/s1

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InChIKey

LHVHDMHDABWGLD-ASTVMCPDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105151993)

(2S)-4-[(2S,5R)-2,5-dihydroxy-5-[(2R,5R)-5-[(1R,3R,5S,8S,9R)-1,3,5,8,9-pentahydroxyhenicosyl]oxolan-2-yl]pentyl]-2-methyl-2H-furan-5-one

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