CHEBI:224975 - Aphidicolin A60

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 Aphidicolin A60
ChEBI ID CHEBI:224975
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28O5
Net Charge 0
Average Mass 348.439
Monoisotopic Mass 348.19367
InChI InChI=1S/C20H28O5/c1-17-10-25-13-8-11-7-12-9-19(11,5-6-20(12,24)16(22)23)18(2,15(13)17)4-3-14(17)21/h11-12,14,21,24H,3-10H2,1-2H3,(H,22,23)/t11-,12-,14-,17-,18+,19+,20-/m1/s1
InChIKey MFUFYVRSGKJJNS-DEWXCMOMSA-N
SMILES O=C(O)[C@]1(O)[C@H]2C[C@@]3([C@@]4(C=5[C@@]([C@H](O)CC4)(COC5C[C@H]3C2)C)C)CC1
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A60 (CHEBI:224975) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(1R,2S,5R,6R,8R,13R,14R)-5,14-dihydroxy-1,13-dimethyl-11-oxapentacyclo[8.6.1.12,6.02,8.013,17]octadec-10(17)-ene-5-carboxylic acid
Manual Xref Database
78966227 ChemSpider
View more database links