None

AlkaPlorer ID: AK350935

Synonym: None

IUPAC Name: (5Z)-5-[6-(1,2-dihydroxyethyl)-4-hydroxy-2-oxooxan-3-ylidene]-4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrol-2-one

Structure

SMILES: O=C1OC(C(O)CO)CC(O)/C1=C1/N=C(O)C=C1C1OC(CO)C(O)C1O

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InChI: InChI=1S/C16H21NO10/c18-3-7(21)8-2-6(20)11(16(25)27-8)12-5(1-10(22)17-12)15-14(24)13(23)9(4-19)26-15/h1,6-9,13-15,18-21,23-24H,2-4H2,(H,17,22)/b12-11-

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InChIKey: CAFXXGBBONAMAZ-QXMHVHEDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Jacobaea cannabifolia Jacobaea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 387.34100000000007

TPSA: 189.5

MolLogP: -3.3518999999999983

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information