CHEBI:198004 - Gloeophyllin I

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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 Gloeophyllin I
ChEBI ID CHEBI:198004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H48O8
Net Charge 0
Average Mass 560.728
Monoisotopic Mass 560.33492
InChI InChI=1S/C32H48O8/c1-17(2)18(3)9-10-19(4)21-11-14-32(38)27-22(15-26(39-20(5)33)31(21,8)40-32)29(6)13-12-25(35)30(7,28(36)37)24(29)16-23(27)34/h17,19,21,24-26,35,38H,3,9-16H2,1-2,4-8H3,(H,36,37)/t19-,21-,24-,25+,26-,29-,30+,31+,32-/m1/s1
InChIKey SOOOIIZYTSNVFY-WKUOWAQYSA-N
SMILES O=C1C2=C([C@]3(CC[C@@H]([C@]([C@@H]3C1)(C(=O)O)C)O)C)C[C@@H](OC(=O)C)[C@]4(O[C@]2(O)CC[C@@H]4[C@@H](CCC(=C)C(C)C)C)C
Metabolite of Species Details
Gloeophyllum abietinum (NCBI:txid180171) See: PubMed
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 Gloeophyllin I (CHEBI:198004) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name
(1R,5R,6S,7S,10S,13R,14S,15R)-13-acetyloxy-1,7-dihydroxy-6,10,14-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-oxo-18-oxatetracyclo[12.3.1.02,11.05,10]octadec-2(11)-ene-6-carboxylic acid