(Q105137757)

English

[(3aS,4R,6aS,9aR,9bS)-6a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2,4-dihydroxybut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(6a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) 2,4-dihydroxybut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₇

0 references

canonical SMILES

O=C(OC1C=C(C)C2(O)CC=C(C)C2C3OC(=O)C(=C)C13)C(O)=CCO

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(O)=C/CO)C=C(C)[C@]1(O)CC=C(C)[C@H]21

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found in taxon

Eupatorium chinense

1 reference

stated in

Seven guaianolides from Eupatorium chinense

Identifiers

InChI

InChI=1S/C19H22O7/c1-9-4-6-19(24)10(2)8-13(25-18(23)12(21)5-7-20)14-11(3)17(22)26-16(14)15(9)19/h4-5,8,13-16,20-21,24H,3,6-7H2,1-2H3/b12-5-/t13-,14+,15-,16+,19-/m1/s1

0 references

InChIKey

KAAORAQGNIIKED-MGPIDNSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KAAORAQGNIIKED-MGPIDNSLSA-N

(Q105137757)

[(3aS,4R,6aS,9aR,9bS)-6a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2,4-dihydroxybut-2-enoate

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