Terminology Service for NFDI4Health
Grahamine A, (rel)-
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http://purl.obolibrary.org/obo/CHEBI_68890
Term info
Label
Grahamine A, (rel)-
Subsets
2_STAR
charge
0
formula
C35H46N2O9
has obo namespace
chebi_ontology
has related synonym
rel-2-{[(3alpha-hydroxytropo-6beta--yl)oxy]carbonyl}-2-methyl-3-{[((6beta-angeloyloxy)-3alpha-yl)oxy]carbonyl}-4-phenylcyclobutanecarboxylic acid
id
CHEBI:68890
inchi
InChI=1S/C35H46N2O9/c1-6-18(2)32(41)45-26-15-21-13-23(17-25(26)37(21)5)44-33(42)30-28(19-10-8-7-9-11-19)29(31(39)40)35(30,3)34(43)46-27-14-20-12-22(38)16-24(27)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,39,40)/b18-6-/t20-,21-,22+,23-,24+,25+,26+,27+,28?,29?,30?,35?/m0/s1
inchikey
BUFUGHAGZDAHJK-DJJAPDROSA-N
mass
638.74770
monoisotopicmass
638.32033
smiles
[H][C@]12C[C@@H](O)C[C@]([H])([C@@H](C1)OC(=O)C1(C)C(C(C1C(=O)O[C@H]1C[C@@]3([H])C[C@@H](OC(=O)C(\C)=C/C)[C@@]([H])(C1)N3C)c1ccccc1)C(O)=O)N2C
Term relations
Subclass of: