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CHEBI:216995 - Huptremule C

ChEBI IDCHEBI:216995
ChEBI NameHuptremule C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40N2O4
Net Charge0
Average Mass492.660
Monoisotopic Mass492.29881
SMILESC/C=C1\[C@H]2C=C(C)C[C@]1(NC1OCC3=C4CC(C)(C)C[C@H]4[C@@H](C)[C@H](O)CC31O)c1ccc(=O)nc1C2
InChIInChI=1S/C30H40N2O4/c1-6-21-18-9-16(2)11-29(21,22-7-8-26(34)31-24(22)10-18)32-27-30(35)14-25(33)17(3)19-12-28(4,5)13-20(19)23(30)15-36-27/h6-9,17-19,25,27,32-33,35H,10-15H2,1-5H3,(H,31,34)/b21-6+/t17-,18+,19+,25-,27?,29-,30?/m1/s1
InChIKeySJYVGYLWIJIYHJ-LIUSGKPXSA-N
Species of MetaboliteComponentSourceComments
Ceriporia (ncbitaxon:40427) - PubMed (25222040)
ChEBI Ontology
Outgoing Relation(s)
Huptremule C (CHEBI:216995) is a quinolone (CHEBI:23765)
IUPAC Name 
(1R,9R,13E)-1-[[(5R,6R,6aS)-3a,5-dihydroxy-6,8,8-trimethyl-1,3,4,5,6,6a,7,9-octahydroazuleno[4,5-c]uran-3-yl]amino]-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Manual XrefsDatabases
58117205ChemSpider