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CHEBI:213881 - Acarviostatin II13

ChEBI IDCHEBI:213881
ChEBI NameAcarviostatin II13
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H104N2O45
Net Charge0
Average Mass1597.483
Monoisotopic Mass1596.59111
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]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)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](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/C62H104N2O45/c1-14-27(63-18-3-16(5-65)49(36(83)29(18)76)103-58-44(91)35(82)32(79)22(9-69)98-58)33(80)42(89)56(96-14)106-52-23(10-70)99-59(45(92)38(52)85)104-50-17(6-66)4-19(30(77)37(50)84)64-28-15(2)97-57(43(90)34(28)81)107-53-24(11-71)101-61(47(94)40(53)87)109-55-26(13-73)102-62(48(95)41(55)88)108-54-25(12-72)100-60(46(93)39(54)86)105-51(21(75)8-68)31(78)20(74)7-67/h3-4,7,14-15,18-66,68-95H,5-6,8-13H2,1-2H3/t14-,15-,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-/m1/s1
InChIKeyJUMKJMGZGCOWOK-LMMHDOGYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces coelicoflavus ZG0656 (ncbitaxon:1120227) - PubMed (18054350)
ChEBI Ontology
Outgoing Relation(s)
Acarviostatin II13 (CHEBI:213881) is a amino cyclitol (CHEBI:61689)
Acarviostatin II13 (CHEBI:213881) is a glycoside (CHEBI:24400)
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-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-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]-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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