Dimerumic acid; 11-O-β-D-Mannopyranoside 

AlkaPlorer ID: AK296535

Synonym: None

IUPAC Name: None

Structure

SMILES: C/C(=C\C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)CCOC2OC(CO)C(O)C(O)C2O)NC1=O)CCO

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InChI: InChI=1S/C28H46N4O13/c1-16(7-11-33)13-21(35)31(42)9-3-5-18-26(40)30-19(27(41)29-18)6-4-10-32(43)22(36)14-17(2)8-12-44-28-25(39)24(38)23(37)20(15-34)45-28/h13-14,18-20,23-25,28,33-34,37-39,42-43H,3-12,15H2,1-2H3,(H,29,41)(H,30,40)/b16-13+,17-14+

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InChIKey: VUMZUQDYSUHDSE-DISAMGIASA-N

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Reference

CAS: 1617538-64-3

Source

Properties Information

Molecule Weight: 646.6910000000003

TPSA: 258.89

MolLogP: -2.552799999999993

Number of H-Donors: 9

Number of H-Acceptors: 13

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information