CHEBI:227095 - Isororidin P

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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 Isororidin P
ChEBI ID CHEBI:227095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H38O8
Net Charge 0
Average Mass 514.615
Monoisotopic Mass 514.25667
InChI InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-20(3)21(30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22+,23?,24+,27+,28?,29-/m0/s1
InChIKey LIZTVRFBEXUQHG-XCIVTRMOSA-N
SMILES O=C1OCC23[C@@]4([C@@]5(OC5)[C@H](OC2C=C(C)CC3)C[C@H]4OC(=O)C=CC=C[C@@H]([C@@H](OCCC(=C1)C)C)O)C
Metabolite of Species Details
Myrothecium (NCBI:txid5531) See: DOI
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Isororidin P (CHEBI:227095) is a trichothecene (CHEBI:55517)
IUPAC Name
(1R,12Z,17S,18S,19Z,21Z,25R,26S,27S)-18-hydroxy-5,13,17,26-tetramethylspiro[2,10,16,24-tetraoxatetracyclo[23.2.1.03,8.08,26]octacosa-4,12,19,21-tetraene-27,2'-oxirane]-11,23-dione
Manual Xref Database
78442686 ChemSpider
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