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CHEBI:197741 - Acarviostatin III23

ChEBI IDCHEBI:197741
ChEBI NameAcarviostatin III23
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC87H145N3O62
Net Charge0
Average Mass2225.076
Monoisotopic Mass2223.82856
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](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](C)[C@@H](N[C@H]4C=C(CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](C)[C@@H](N[C@H]7C=C(CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O[C@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C87H145N3O62/c1-18-35(88-24-4-21(7-91)67(46(110)38(24)102)143-82-61(125)50(114)72(30(13-97)137-82)147-79-58(122)43(107)36(19(2)133-79)89-26-6-23(9-93)69(48(112)40(26)104)145-84-63(127)52(116)74(32(15-99)139-84)150-81-60(124)45(109)41(105)27(10-94)136-81)42(106)57(121)78(132-18)146-71-29(12-96)138-83(62(126)51(71)115)144-68-22(8-92)5-25(39(103)47(68)111)90-37-20(3)134-80(59(123)44(37)108)148-73-31(14-98)140-86(64(128)53(73)117)151-76-34(17-101)142-87(66(130)55(76)119)152-75-33(16-100)141-85(65(129)54(75)118)149-70-28(11-95)135-77(131)56(120)49(70)113/h4-6,18-20,24-131H,7-17H2,1-3H3/t18-,19-,20-,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-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77?,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-/m1/s1
InChIKeySMCNSIWTHXFVMF-QOXOOGCSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces coelicoflavus ZG0656 (ncbitaxon:1120227) - PubMed (23495161)
ChEBI Ontology
Outgoing Relation(s)
Acarviostatin III23 (CHEBI:197741) is a amino cyclitol (CHEBI:61689)
Acarviostatin III23 (CHEBI:197741) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(1R,4S,5S,6R)-4-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[(1R,4S,5S,6R)-4-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[(1R,4S,5S,6R)-4-[[(2R,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]amino]-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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