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CHEBI:138831 - Penitrem B

Default Structure
ChEBI IDCHEBI:138831
ChEBI NamePenitrem B
Stars
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC37H45NO5
Net Charge0
Average Mass583.769
Monoisotopic Mass583.32977
SMILES[H][C@@]12CC[C@]3(O)[C@](C)(CC[C@]4([H])O[C@H](C(=C)C)[C@H](O)[C@H]5O[C@@]534)[C@@]1(C)c1nc3ccc4c5c3c1[C@@]2([H])OC(C)(C)[C@@]1([H])C[C@]([H])(C(=C)C4)[C@]51[H]
InChIInChI=1S/C37H45NO5/c1-16(2)29-28(39)32-37(43-32)23(41-29)11-12-34(6)35(7)20(10-13-36(34,37)40)30-27-26-22(38-31(27)35)9-8-18-14-17(3)19-15-21(25(19)24(18)26)33(4,5)42-30/h8-9,19-21,23,25,28-30,32,38-40H,1,3,10-15H2,2,4-7H3/t19-,20+,21+,23+,25+,28+,29-,30+,32-,34-,35-,36+,37+/m1/s1
InChIKeyCRPJNVUYZRFGAK-WKAGVDCZSA-N
ChEBI Ontology
Outgoing Relation(s)
Penitrem B (CHEBI:138831) is a organic heterotricyclic compound (CHEBI:26979)
Penitrem B (CHEBI:138831) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
C20731KEGG COMPOUND