CHEBI:225167 - 7beta,8beta-epoxyisororidin E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 7beta,8beta-epoxyisororidin E
ChEBI ID CHEBI:225167
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H36O9
Net Charge 0
Average Mass 528.598
Monoisotopic Mass 528.23593
InChI InChI=1S/C29H36O9/c1-16-9-10-33-19(18(3)30)7-5-6-8-23(31)37-20-13-22-29(15-35-29)27(20,4)28(14-34-24(32)11-16)21(36-22)12-17(2)25-26(28)38-25/h5-8,11-12,18-22,25-26,30H,9-10,13-15H2,1-4H3/b7-5-,8-6-,16-11-/t18?,19?,20-,21-,22?,25?,26-,27?,28-,29+/m1/s1
InChIKey SVPSTMIMOGGJOG-CBYZLBOXSA-N
SMILES O=C1OC[C@@]23C4([C@@]5(OC5)C(O[C@@H]2C=C(C)C6[C@H]3O6)C[C@H]4OC(=O)C=CC=CC(OCCC(=C1)C)C(O)C)C
Metabolite of Species Details
Cylindrocarpon (NCBI:txid13474) See: PubMed
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7beta,8beta-epoxyisororidin E (CHEBI:225167) is a trichothecene (CHEBI:55517)
IUPAC Name
(3R,8S,9S,13Z,19Z,21Z,25R,27S)-18-(1-hydroxyethyl)-5,14,26-trimethylspiro[2,7,11,17,24-pentaoxapentacyclo[23.2.1.03,9.06,8.09,26]octacosa-4,13,19,21-tetraene-27,2'-oxirane]-12,23-dione
Manual Xref Database
78445745 ChemSpider
View more database links