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CHEBI:221015 - Penitrem G

ChEBI IDCHEBI:221015
ChEBI NamePenitrem G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO5
Net Charge0
Average Mass583.769
Monoisotopic Mass583.32977
SMILESC=C1Cc2ccc3nc4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@]1(O)CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C
InChIInChI=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
InChIKeyNKDIIHTXCWIGFT-OFCGRFHOSA-N
Species of MetaboliteComponentSourceComments
Penicillium crustosum (ncbitaxon:36656) - PubMed (12670149)
ChEBI Ontology
Outgoing Relation(s)
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
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9170678ChemSpider