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CHEBI:206960 - Eupenicinicol D

ChEBI IDCHEBI:206960
ChEBI NameEupenicinicol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H59NO6
Net Charge0
Average Mass625.891
Monoisotopic Mass625.43424
SMILESCC[C@@H](C)[C@H]1C=C[C@H]2[C@H](O)[C@H](O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)/C=C\N/C=C\C(=O)[C@]1(C)[C@@H]2[C@@H](C=C[C@@H]1[C@H](C)CC)[C@H](O)[C@H](O)C[C@H]2C
InChIInChI=1S/C38H59NO6/c1-9-21(3)27-13-11-25-33(23(5)19-29(40)35(25)44)37(27,7)31(42)15-17-39-18-16-32(43)38(8)28(22(4)10-2)14-12-26-34(38)24(6)20-30(41)36(26)45/h11-18,21-30,33-36,39-41,44-45H,9-10,19-20H2,1-8H3/b17-15-,18-16-/t21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,33+,34+,35+,36+,37-,38-/m1/s1
InChIKeyPDJRBVYBPPZSKF-PWQNNWMXSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies LG41 (ncbitaxon:1564184) - PubMed (28333449)
ChEBI Ontology
Outgoing Relation(s)
Eupenicinicol D (CHEBI:206960) is a enone (CHEBI:51689)
IUPAC Name 
(Z)-1-[(1S,2S,4aR,5S,6R,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-[[(Z)-3-[(1S,2S,4aR,5S,6R,8R,8aS)-2-[(2R)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxoprop-1-enyl]amino]prop-2-en-1-one
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78438924ChemSpider