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CHEBI:176927 - 20,21-Diprenylterpendole C

ChEBI IDCHEBI:176927
ChEBI Name20,21-Diprenylterpendole C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H57NO5
Net Charge0
Average Mass655.920
Monoisotopic Mass655.42367
SMILES[H][C@@]12CC[C@@]3(O)C45OC4C4OC(C=C(C)C)OC(C)(C)[C@@]4([H])OC5CC[C@]3(C)[C@@]1(C)c1nc3ccc(CC=C(C)C)c(CC=C(C)C)c3c1C2
InChIInChI=1S/C42H57NO5/c1-23(2)11-13-26-14-16-30-33(28(26)15-12-24(3)4)29-22-27-17-20-41(44)39(9,40(27,10)35(29)43-30)19-18-31-42(41)37(48-42)34-36(45-31)38(7,8)47-32(46-34)21-25(5)6/h11-12,14,16,21,27,31-32,34,36-37,43-44H,13,15,17-20,22H2,1-10H3/t27-,31?,32?,34?,36-,37?,39+,40+,41-,42?/m0/s1
InChIKeyHXQRMKPANJZAHF-FDSZVRLGSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
20,21-Diprenylterpendole C (CHEBI:176927) is a organic heterotricyclic compound (CHEBI:26979)
20,21-Diprenylterpendole C (CHEBI:176927) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,13S,16S,25S,27S)-1,2,24,24-tetramethyl-8,9-bis(3-methylbut-2-enyl)-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5(10),6,8-tetraen-16-ol