(Q104916802)

English

8-hydroxy-1,5-dimethyl-8-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one

group of stereoisomers with the chemical formula C₁₉H₃₀O₉

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instance of

group of stereoisomers

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1 reference

402.1889825399999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₃₀O₉

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canonical SMILES

O=C1CC2(OCC(C)(C1)C2(O)C=CC(OC3OC(CO)C(O)C(O)C3O)C)C

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isomeric SMILES

CC(/C=C/C1(O)C2(C)COC1(C)CC(=O)C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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Identifiers

InChI

InChI=1S/C19H30O9/c1-10(27-16-15(24)14(23)13(22)12(8-20)28-16)4-5-19(25)17(2)6-11(21)7-18(19,3)26-9-17/h4-5,10,12-16,20,22-25H,6-9H2,1-3H3/b5-4+/t10?,12-,13-,14+,15-,16-,17?,18?,19?/m1/s1

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InChIKey

AQDQRSAVDNFBEA-HKMVGJDTSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

AQDQRSAVDNFBEA-HKMVGJDTSA-N

ChEBI ID

181082

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H30O9/c1-10(27-16-15(24)14(23)13(22)12(8-20)28-16)4-5-19(25)17(2)6-11(21)7-18(19,3)26-9-17/h4-5,10,12-16,20,22-25H,6-9H2,1-3H3/b5-4+/t10?,12-,13-,14+,15-,16-,17?,18?,19?/m1/s1

(Q104916802)

8-hydroxy-1,5-dimethyl-8-[(E)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one

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