CHEBI:197409 - (−)-phomoidride B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (−)-phomoidride B
ChEBI ID CHEBI:197409
ChEBI ASCII Name (-)-phomoidride B
Definition The structure was first elucidated in DOI:10.1021/ja961000v
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C31H36O9
Net Charge 0
Average Mass 552.620
Monoisotopic Mass 552.23593
InChI InChI=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
InChIKey PZLSMKXFWOLXHD-IXOQEDOXSA-N
SMILES O1C(=O)C=2[C@]3([C@H]4[C@H](C=C5C3(O[C@@](C4)(C(CC/C=C/C)=O)[H])OC([C@@]5(CC2C1=O)CC(=O)O)=O)CCCCC/C=C/C)[H]
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (−)-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 (−)-phomoidride B(1−) (CHEBI:197432) is conjugate base of (−)-phomoidride B (CHEBI:197409)
Citations Waiting for Citations Types Sources
10934377 PubMed citation SUBMITTER
36374185 PubMed citation SUBMITTER