CHEBI:200847 - Huptremule D

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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 Huptremule D
ChEBI ID CHEBI:200847
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40N2O4
Net Charge 0
Average Mass 492.660
Monoisotopic Mass 492.29881
InChI InChI=1S/C30H40N2O4/c1-6-20-18-11-16(2)13-29(20,21-7-8-24(33)31-23(21)12-18)32-27-30(35)10-9-17(3)25-19(22(30)15-36-27)14-28(4,5)26(25)34/h6-8,11,17-18,25-27,32,34-35H,9-10,12-15H2,1-5H3,(H,31,33)/b20-6+/t17-,18-,25-,26+,27?,29+,30?/m0/s1
InChIKey OYEWBWVWUDMBPW-HSEGREMKSA-N
SMILES O=C1NC2=C([C@]3(NC4OCC=5C4(O)CC[C@H](C)[C@H]6C5CC(C)(C)[C@@H]6O)/C(=C/C)/[C@H](C2)C=C(C3)C)C=C1
Metabolite of Species Details
Ceriporia (NCBI:txid40427) See: PubMed
ChEBI Ontology
Outgoing Huptremule D (CHEBI:200847) is a quinolone (CHEBI:23765)
IUPAC Name
(1R,9R,13E)-1-[[(6S,6aS,7R)-3a,7-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 Xref Database
58117206 ChemSpider
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