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CHEBI:213326 - Nodulisporic acid D2

ChEBI IDCHEBI:213326
ChEBI NameNodulisporic acid D2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H51NO6
Net Charge0
Average Mass617.827
Monoisotopic Mass617.37164
SMILESC[C@H](C(=O)O)[C@@H](O)[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4Cc5c(nc6cc7c(cc56)C5=CC(C)(C)OC(C)(C)[C@H]5C7)[C@]4(C)[C@@]3(C)CC[C@]2(O)O1
InChIInChI=1S/C38H51NO6/c1-19(32(41)42)30(40)28-18-36(7)29-10-9-21-15-24-23-16-22-20(13-26-25(22)17-33(2,3)45-34(26,4)5)14-27(23)39-31(24)37(21,8)35(29,6)11-12-38(36,43)44-28/h14,16-17,19,21,26,28-30,39-40,43H,9-13,15,18H2,1-8H3,(H,41,42)/t19-,21-,26-,28-,29+,30+,35-,36-,37+,38-/m0/s1
InChIKeyBVXANUMPSJDELO-WOYQAOQOSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies (ncbitaxon:1897413) - PubMed (15387649)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporic acid D2 (CHEBI:213326) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(2S,3R)-3-hydroxy-3-[(2S,3S,6S,8S,10S,11R,14S,25S)-6-hydroxy-2,3,10,22,22,24,24-heptamethyl-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17(29),18,20,27-pentaen-8-yl]-2-methylpropanoic acid
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9642520ChemSpider