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CHEBI:207548 - Microsporanate D

ChEBI IDCHEBI:207548
ChEBI NameMicrosporanate D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H102N2O22
Net Charge0
Average Mass1323.578
Monoisotopic Mass1322.69242
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]6CC[C@@H](O[C@@H]7C[C@@H](O)[C@@H](O[C@H]8CC[C@@H](O)[C@H](C)O8)[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
InChIInChI=1S/C70H102N2O22/c1-32-15-21-50(89-57-31-68(12,71)63(41(10)87-57)72-67(81)82-14)33(2)26-46-48(76)27-43(17-16-36(5)73)30-70(46)65(79)58(66(80)94-70)64(78)69(13)45(32)19-18-44-59(69)34(3)25-35(4)60(44)93-56-29-52(62(40(9)86-56)88-42(11)74)91-53-24-22-51(38(7)84-53)90-55-28-49(77)61(39(8)85-55)92-54-23-20-47(75)37(6)83-54/h15-19,26-27,34-35,37-41,44-57,59-63,75-78H,20-25,28-31,71H2,1-14H3,(H,72,81)/b17-16+,32-15+,33-26?,64-58?/t34-,35-,37-,38-,39-,40-,41+,44-,45-,46+,47+,48-,49+,50-,51+,52+,53-,54-,55+,56-,57-,59+,60-,61-,62-,63-,68-,69+,70-/m0/s1
InChIKeyWXAJQYIAXRIMRT-VARCDQSMSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (28489382)
ChEBI Ontology
Outgoing Relation(s)
Microsporanate D (CHEBI:207548) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2S,3S,4R,6R)-6-[[(1S,5S,6R,9S,11E,13S,16S,17S,18S,20S,21R,22S)-9-[(2R,4S,5R,6R)-4-amino-5-(methoxycarbonylamino)-4,6-dimethyloxan-2-yl]oxy-5,23-dihydroxy-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,5R,6S)-5-[(2R,4R,5R,6S)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-methyloxan-3-yl] acetate