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CHEBI:202349 - Emindole SB beta-mannoside

ChEBI IDCHEBI:202349
ChEBI NameEmindole SB beta-mannoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H49NO6
Net Charge0
Average Mass567.767
Monoisotopic Mass567.35599
SMILESCC(C)=CCC[C@]1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(nc4ccccc34)[C@@]12C
InChIInChI=1S/C34H49NO6/c1-19(2)9-8-15-32(3)25-13-12-20-17-22-21-10-6-7-11-23(21)35-30(22)34(20,5)33(25,4)16-14-26(32)41-31-29(39)28(38)27(37)24(18-36)40-31/h6-7,9-11,20,24-29,31,35-39H,8,12-18H2,1-5H3/t20-,24+,25-,26-,27+,28-,29-,31-,32-,33-,34+/m0/s1
InChIKeyRLMHLVYKLURACD-CHRYWTOVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (24471526)
ChEBI Ontology
Outgoing Relation(s)
Emindole SB beta-mannoside (CHEBI:202349) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(1S,12S,15R,16S,17S,20S)-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl]oxy]oxane-3,4,5-triol
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31140460ChemSpider