EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197409 - (−)-phomoidride B

ChEBI IDCHEBI:197409
ChEBI Name(−)-phomoidride B
Stars
ASCII Name(-)-phomoidride B
DefinitionThe structure was first elucidated in DOI:10.1021/ja961000v
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC31H36O9
Net Charge0
Average Mass552.620
Monoisotopic Mass552.23593
SMILES[H][C@@]12C3=C(C[C@@]4(CC(=O)O)C(=O)OC15O[C@]([H])(C(=O)CC/C=C/C)C[C@@H]2[C@@H](CCCCC/C=C/C)C=C54)C(=O)OC3=O
InChIInChI=1S/C31H36O9/c1-3-5-7-8-9-11-12-18-14-23-30(17-24(33)34)16-20-25(28(36)38-27(20)35)26-19(18)15-22(21(32)13-10-6-4-2)39-31(23,26)40-29(30)37/h3-6,14,18-19,22,26H,7-13,15-17H2,1-2H3,(H,33,34)/b5-3+,6-4+/t18-,19+,22-,26+,30-,31?/m0/s1
InChIKeyPZLSMKXFWOLXHD-IXOQEDOXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(−)-phomoidride B (CHEBI:197409) is a cyclic dicarboxylic anhydride (CHEBI:36609)
(−)-phomoidride B (CHEBI:197409) is a dioxo monocarboxylic acid (CHEBI:35951)
(−)-phomoidride B (CHEBI:197409) is a furans (CHEBI:24129)
(−)-phomoidride B (CHEBI:197409) is conjugate acid of (−)-phomoidride B(1−) (CHEBI:197432)
Incoming Relation(s)
(−)-phomoidride B(1−) (CHEBI:197432) is conjugate base of (−)-phomoidride B (CHEBI:197409)
Citations