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CHEBI:207312 - Nodulisporic acid C2

ChEBI IDCHEBI:207312
ChEBI NameNodulisporic acid C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H59NO7
Net Charge0
Average Mass701.945
Monoisotopic Mass701.42915
SMILESCC(C)=CCc1c2c(cc3c4c(nc13)[C@@]1(C)[C@@H](CC[C@@H]3[C@]1(C)CC[C@]1(O)O[C@H](C(O)C(C)C(=O)O)C[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O
InChIInChI=1S/C43H59NO7/c1-21(2)11-13-24-31-25(28-19-38(4,5)51-39(6,7)32(28)35(31)46)18-26-27-17-23-12-14-30-40(8,42(23,10)36(27)44-33(24)26)15-16-43(49)41(30,9)20-29(50-43)34(45)22(3)37(47)48/h11,18-19,22-23,29-30,32,34-35,44-46,49H,12-17,20H2,1-10H3,(H,47,48)/t22?,23-,29-,30+,32+,34?,35+,40-,41-,42+,43-/m0/s1
InChIKeyRJBBYXNTYMCJHA-UEWKXTELSA-N
Species of MetaboliteComponentSourceComments
Nodulisporiumspecies MF5954 (ncbitaxon:143268) - PubMed (12542359)
ChEBI Ontology
Outgoing Relation(s)
Nodulisporic acid C2 (CHEBI:207312) is a naphthofuran (CHEBI:39270)
IUPAC Name 
3-[(2S,3S,6S,8S,10S,11R,14S,25R,26S)-6,26-dihydroxy-2,3,10,22,22,24,24-heptamethyl-28-(3-methylbut-2-enyl)-7,23-dioxa-30-azaoctacyclo[14.14.0.02,14.03,11.06,10.017,29.019,27.020,25]triaconta-1(16),17,19(27),20,28-pentaen-8-yl]-3-hydroxy-2-methylpropanoic acid
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9214960ChemSpider