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CHEBI:214779 - Acarviostatin III0(-1)

ChEBI IDCHEBI:214779
ChEBI NameAcarviostatin III0(-1)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H85N3O32
Net Charge0
Average Mass1252.230
Monoisotopic Mass1251.51162
SMILESC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3C(CO)=C[C@H](N[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6C(CO)=C[C@H](N[C@H]7[C@H](O)[C@@H](O)C(O)O[C@@H]7C)[C@H](O)[C@H]6O)O[C@@H]5CO)O[C@@H]4C)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C51H85N3O32/c1-12-23(30(64)38(72)47(77)78-12)53-19-5-16(8-56)43(34(68)28(19)62)83-50-41(75)37(71)46(22(11-59)81-50)86-49-40(74)32(66)25(14(3)80-49)54-20-6-17(9-57)44(35(69)29(20)63)84-51-42(76)36(70)45(21(10-58)82-51)85-48-39(73)31(65)24(13(2)79-48)52-18-4-15(7-55)26(60)33(67)27(18)61/h4-6,12-14,18-77H,7-11H2,1-3H3/t12-,13-,14-,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47?,48-,49-,50-,51-/m1/s1
InChIKeyADVPSQKLMVHHOI-MCKHRQRWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces coelicoflavus ZG0656 (ncbitaxon:1120227) - PubMed (23495161)
ChEBI Ontology
Outgoing Relation(s)
Acarviostatin III0(-1) (CHEBI:214779) is a amino cyclitol (CHEBI:61689)
Acarviostatin III0(-1) (CHEBI:214779) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-6-methyloxane-2,3,4-triol
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