CHEBI:205081 - Verrucarin X

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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 Verrucarin X
ChEBI ID CHEBI:205081
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O11
Net Charge 0
Average Mass 532.542
Monoisotopic Mass 532.19446
InChI InChI=1S/C27H32O11/c1-15-8-10-34-20(28)5-3-4-6-21(29)38-17-12-19-27(14-36-27)25(17,2)26(13-35-24(33)22(15)30)9-7-16(23(31)32)11-18(26)37-19/h3-6,11,15,17-19,22,30H,7-10,12-14H2,1-2H3,(H,31,32)/b5-3+,6-4-/t15-,17-,18-,19-,22+,25-,26-,27+/m1/s1
InChIKey UKQUNUSSEKGBDS-XDXDYSKPSA-N
SMILES O=C1O[C@H]2[C@@]3([C@@]4([C@@H](C=C(C(=O)O)CC4)O[C@H](C2)[C@]35OC5)COC(=O)[C@@H](O)[C@H](C)CCOC(C=CC=C1)=O)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 Verrucarin X (CHEBI:205081) is a trichothecene (CHEBI:55517)
IUPAC Name
(1R,3R,8R,12S,13R,18E,20Z,24R,25S,26S)-12-hydroxy-13,25-dimethyl-11,17,22-trioxospiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-5-carboxylic acid
Manual Xref Database
22943227 ChemSpider
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