EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221568 - Xenoacremone B

ChEBI IDCHEBI:221568
ChEBI NameXenoacremone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33NO5
Net Charge0
Average Mass475.585
Monoisotopic Mass475.23587
SMILESC=C[C@@H]1C=C[C@@H]2[C@@H]3C[C@H](C)C[C@H](C)[C@H]3[C@H]3Oc4ccc(cc4)C[C@@]4(O)NC(=O)[C@@]5(O[C@@H]54)C(=O)[C@H]1[C@@H]23
InChIInChI=1S/C29H33NO5/c1-4-17-7-10-19-20-12-14(2)11-15(3)21(20)24-23(19)22(17)25(31)29-26(35-29)28(33,30-27(29)32)13-16-5-8-18(34-24)9-6-16/h4-10,14-15,17,19-24,26,33H,1,11-13H2,2-3H3,(H,30,32)/t14-,15+,17-,19-,20+,21-,22-,23-,24-,26-,28+,29-/m1/s1
InChIKeyMXGKGKHBWZRDGC-IUKZMMAVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (34900544)
ChEBI Ontology
Outgoing Relation(s)
Xenoacremone B (CHEBI:221568) is a diterpenoid (CHEBI:23849)