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CHEBI:218191 - Acarviostatin II23

ChEBI IDCHEBI:218191
ChEBI NameAcarviostatin II23
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC66H114N2O52
Net Charge0
Average Mass1767.600
Monoisotopic Mass1766.63376
SMILESC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[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]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4C)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/3,11,10/[o2122h][a2122h-1a_1-5][a2122m-1a_1-5]/1-2-2-2-3-2-2-3-2-2-2/a4-b1_b4-c1_c4-d1_d4-e1_e4-f1*N*_f4-g1_g4-h1_h4-i1*N*_i4-j1_j4-k1
InChIInChI=1S/C66H114N2O52/c1-13-25(68-58-40(94)33(87)51(19(7-73)106-58)117-64-47(101)37(91)54(23(11-77)111-64)118-61-43(97)31(85)28(82)17(5-71)107-61)29(83)41(95)59(103-13)114-52-20(8-74)109-63(45(99)35(52)89)116-50-18(6-72)105-57(39(93)32(50)86)67-26-14(2)104-60(42(96)30(26)84)115-53-21(9-75)110-65(46(100)36(53)90)120-56-24(12-78)112-66(48(102)38(56)92)119-55-22(10-76)108-62(44(98)34(55)88)113-49(16(80)4-70)27(81)15(79)3-69/h3,13-68,70-102H,4-12H2,1-2H3/t13-,14-,15+,16-,17-,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-,52-,53-,54-,55-,56-,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1
InChIKeyVCKFKTRIRNBFEC-WFCRTWKASA-N
Species of MetaboliteComponentSourceComments
Streptomyces coelicoflavus ZG0656 (ncbitaxon:1120227) - PubMed (18054350)
ChEBI Ontology
Outgoing Relation(s)
Acarviostatin II23 (CHEBI:218191) is a polysaccharide (CHEBI:18154)
IUPAC Name 
(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
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