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CHEBI:207543 - Microsporanate C

ChEBI IDCHEBI:207543
ChEBI NameMicrosporanate C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H90N2O23
Net Charge0
Average Mass1255.415
Monoisotopic Mass1254.59344
SMILESCOC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@@H](O[C@@H]7C[C@@H](O)[C@@H](O)[C@H](C)O7)[C@H](C)O6)[C@@H](OC(C)=O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(/C=C/C(C)=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-]
InChIInChI=1S/C64H90N2O23/c1-28-14-19-45(85-50-27-62(11,66(77)78)57(36(9)83-50)65-61(76)79-13)29(2)21-41-42(69)22-38(16-15-32(5)67)26-64(41)59(74)51(60(75)89-64)58(73)63(12)40(28)18-17-39-52(63)30(3)20-31(4)54(39)87-49-25-46(56(35(8)82-49)84-37(10)68)86-47-24-44(71)55(34(7)81-47)88-48-23-43(70)53(72)33(6)80-48/h14-18,21-22,30-31,33-36,39-50,52-57,69-73H,19-20,23-27H2,1-13H3,(H,65,76)/b16-15+,28-14+,29-21?,58-51?/t30-,31-,33-,34-,35-,36+,39-,40-,41+,42-,43+,44+,45-,46+,47-,48+,49-,50-,52+,53-,54-,55-,56-,57-,62-,63+,64-/m0/s1
InChIKeyMIEBDRBFNCHPKK-PSKMVQGPSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (28489382)
ChEBI Ontology
Outgoing Relation(s)
Microsporanate C (CHEBI:207543) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2S,3S,4R,6R)-6-[[(1S,5S,6R,9S,11E,13S,16S,17S,18S,20S,21R,22S)-5,23-dihydroxy-9-[(2R,4S,5R,6R)-5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-8,12,18,20,22-pentamethyl-25,27-dioxo-3-[(E)-3-oxobut-1-enyl]-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-3,7,11,14,23-pentaen-17-yl]oxy]-4-[(2S,4R,5R,6S)-5-[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate