(Q105344283)

English

(2R)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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1 reference

1-({6,9-dimethylidene-2-oxo-octahydro-3H-azuleno[4,5-b]furan-3-yl}methyl)pyrrolidine-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

(2S)-1-{[(3aS)-6,9-dimethylidene-2-oxo-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

345.194008344 dalton

1 reference

1 reference

C₂₀H₂₇NO₄

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canonical SMILES

O=C(O)C1N(CCC1)CC2C(=O)OC3C4C(=C)CCC4C(=C)CCC23

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isomeric SMILES

C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CN2CCC[C@@H]2C(=O)O)[C@H]2C(=C)CC[C@@H]12

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found in taxon

Saussurea involucrata

1 reference

stated in

Guaianolides from Saussurea involucrata

Identifiers

InChI

InChI=1S/C20H27NO4/c1-11-5-8-14-15(10-21-9-3-4-16(21)19(22)23)20(24)25-18(14)17-12(2)6-7-13(11)17/h13-18H,1-10H2,(H,22,23)/t13-,14-,15-,16+,17-,18-/m0/s1

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InChIKey

XXYMNUOJMDOHBS-WJWMFLMHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XXYMNUOJMDOHBS-WJWMFLMHSA-N

(Q105344283)

(2R)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid

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