CHEBI:224727 - Aphidicolin A15

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 A15
ChEBI ID CHEBI:224727
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O6
Net Charge 0
Average Mass 366.454
Monoisotopic Mass 366.20424
InChI InChI=1S/C20H30O6/c1-17-6-5-14(21)18(2,15(22)23)13(17)4-3-11-9-12-10-19(11,17)7-8-20(12,26)16(24)25/h11-14,21,26H,3-10H2,1-2H3,(H,22,23)(H,24,25)/t11-,12+,13+,14+,17-,18-,19-,20+/m0/s1
InChIKey LYFNKMIDRMKGMD-QWOOYODBSA-N
SMILES O=C(O)[C@]1(O)[C@H]2C[C@@]3([C@@]4([C@H]([C@](C(=O)O)([C@H](O)CC4)C)CC[C@H]3C2)C)CC1
Metabolite of Species Details
Botryotinia (NCBI:txid40558) See: PubMed
ChEBI Ontology
Outgoing Aphidicolin A15 (CHEBI:224727) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1S,2S,5R,6S,7R,10S,12R,13R)-5,13-dihydroxy-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-6,13-dicarboxylic acid
Manual Xref Database
78966182 ChemSpider
View more database links