CHEBI:221015 - Penitrem G

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 Penitrem G
ChEBI ID CHEBI:221015
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H45NO5
Net Charge 0
Average Mass 583.769
Monoisotopic Mass 583.32977
InChI InChI=1S/C37H45NO5/c1-17(2)30-24(39)16-21-25(42-30)10-11-34(6)35(7)31-29-28-23(38-31)9-8-19-14-18(3)20-15-22(27(20)26(19)28)33(4,5)43-32(29)37(35,41)13-12-36(21,34)40/h8-9,16,20,22,24-25,27,30,32,38-41H,1,3,10-15H2,2,4-7H3/t20-,22+,24-,25+,27+,30-,32-,34-,35-,36-,37-/m1/s1
InChIKey NKDIIHTXCWIGFT-OFCGRFHOSA-N
SMILES O1C([C@@H]2[C@H]3C=4C(=CC=C5C4C=6[C@@H]1[C@@]7(O)[C@]([C@@]8([C@](O)(C9=C[C@@H](O)[C@@H](C(=C)C)O[C@H]9CC8)CC7)C)(C)C6N5)CC([C@H]3C2)=C)(C)C
Metabolite of Species Details
Penicillium crustosum (NCBI:txid36656) See: PubMed
ChEBI Ontology
Outgoing Penitrem G (CHEBI:221015) is a organic heterotricyclic compound (CHEBI:26979)
Penitrem G (CHEBI:221015) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,2S,5S,8R,9R,11S,14R,15S,24S,26S,27S)-14,15,32,32-tetramethyl-23-methylidene-9-prop-1-en-2-yl-10,31-dioxa-17-azanonacyclo[24.4.2.02,15.05,14.06,11.016,30.018,29.021,28.024,27]dotriaconta-6,16(30),18(29),19,21(28)-pentaene-2,5,8-triol
Manual Xref Database
9170678 ChemSpider
View more database links