CHEBI:203982 - 7a-Hydroxy-13-desoxypaxilline

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 7a-Hydroxy-13-desoxypaxilline
ChEBI ID CHEBI:203982
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H33NO4
Net Charge 0
Average Mass 435.564
Monoisotopic Mass 435.24096
InChI InChI=1S/C27H33NO4/c1-24(2,30)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,31)32-23/h5-8,14-15,18,23,28,30-31H,9-13H2,1-4H3/t15-,18-,23-,25-,26+,27-/m0/s1
InChIKey JFVYPWSFDLYZKB-XTHGXZEWSA-N
SMILES O=C1C=C2[C@](O)(CC[C@]3([C@H]2CC[C@@H]4[C@@]3(C=5NC=6C=CC=CC6C5C4)C)C)O[C@@H]1C(O)(C)C
Metabolite of Species Details
Penicillium paxilli (NCBI:txid70109) See: DOI
ChEBI Ontology
Outgoing 7a-Hydroxy-13-desoxypaxilline (CHEBI:203982) is a organic heterotricyclic compound (CHEBI:26979)
7a-Hydroxy-13-desoxypaxilline (CHEBI:203982) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2S,5S,7R,11R,14S)-5-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
Manual Xref Database
78440179 ChemSpider
View more database links