(Q105256468)

English

(3aS)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-9-(hydroxymethyl)-3alpha,6-dimethylazuleno[4,5-b]furan-2,7-dione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

9-(Hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

1 reference

based on heuristic

inferred from SMILES

mass

262.120509056 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,3aR,9aR,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,3aR,9aS,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

1 reference

based on heuristic

inferred from InChI

11beta,13-dihydro-8-deoxylactucin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₈O₄

0 references

canonical SMILES

O=C1C=C(CO)C2C1=C(C)CCC3C(C(=O)OC23)C

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isomeric SMILES

CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2CC1

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found in taxon

Cichorium intybus

1 reference

stated in

Guaianolide Sesquiterpene Lactones From Cichorium Intybus (Asteraceae) [1]

Helminthotheca echioides

1 reference

stated in

Sesquiterpene lactones from Picris echioides

Identifiers

InChI

InChI=1S/C15H18O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,8,10,13-14,16H,3-4,6H2,1-2H3/t8-,10+,13+,14+/m1/s1

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InChIKey

SNIFBMIPCYBVSS-WNIABHAQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SNIFBMIPCYBVSS-WNIABHAQSA-N

1 reference

(Q105256468)

(3aS)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-9-(hydroxymethyl)-3alpha,6-dimethylazuleno[4,5-b]furan-2,7-dione

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Identifiers

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