CHEBI:205539 - 16-hydroxyroridin E

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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 16-hydroxyroridin E
ChEBI ID CHEBI:205539
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38O9
Net Charge 0
Average Mass 530.614
Monoisotopic Mass 530.25158
InChI InChI=1S/C29H38O9/c1-18-9-11-34-21(19(2)31)6-4-5-7-25(32)38-22-14-24-29(17-36-29)27(22,3)28(16-35-26(33)12-18)10-8-20(15-30)13-23(28)37-24/h4-7,12-13,19,21-24,30-31H,8-11,14-17H2,1-3H3/b6-4+,7-5-,18-12+/t19-,21-,22-,23-,24-,27-,28-,29+/m1/s1
InChIKey DUKCZSLAWRKJBB-UYHWUTLMSA-N
SMILES O=C1OC[C@@]23[C@@]4([C@@]5(OC5)[C@H](O[C@@H]2C=C(CO)CC3)C[C@H]4OC(=O)C=CC=C[C@@H](OCCC(=C1)C)[C@H](O)C)C
Metabolite of Species Details
Paramyrothecium roridum (NCBI:txid1859971) See: PubMed
Roles Classification
Biological Role(s): mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 16-hydroxyroridin E (CHEBI:205539) is a trichothecene (CHEBI:55517)
IUPAC Name
(1R,3R,8R,12E,17R,18E,20Z,24R,25S,26S)-17-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)-13,25-dimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione
Manual Xref Database
10282235 ChemSpider
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