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CHEBI:224834 - Demethylolivomycin A

ChEBI IDCHEBI:224834
ChEBI NameDemethylolivomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H82O26
Net Charge0
Average Mass1183.257
Monoisotopic Mass1182.50943
SMILESCO[C@H](C(=O)[C@H](O)[C@H](C)O)[C@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@H](O)[C@H](O)[C@H](C)O5)[C@H](OC(C)=O)[C@@H](C)O4)cc(O)c3c(O)c2C(=O)[C@@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)C(C)C)[C@H](C)O3)[C@H](O)[C@H](C)O2)[C@@H](O)[C@@H](C)O1
WURCSWURCS=2.0/5,5,4/[ad112m-1b_1-5][ad122m-1b_1-5_4*OCC/3=O][ad221m-1b_1-5][ad121m-1b_1-5][ad521m-1b_1-5_3*C_4*OCCC/4C/3=O]/1-2-3-4-5/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/11)O(/9)CC^RC^SCC^RC^SC/19O/18O/17=O/16OC/15C^RO*2/26C($8/7)O/29=O_a3-d1_b3-c1_d3-e1
InChIInChI=1S/C57H82O26/c1-21(2)56(69)83-55-27(8)76-42(20-57(55,10)70)80-36-17-40(73-24(5)48(36)65)79-35-18-41(74-25(6)47(35)64)82-54-32(53(71-11)51(68)45(62)22(3)58)14-30-12-29-13-31(15-33(60)43(29)49(66)44(30)50(54)67)78-39-19-37(52(26(7)75-39)77-28(9)59)81-38-16-34(61)46(63)23(4)72-38/h12-13,15,21-27,32,34-42,45-48,52-55,58,60-66,70H,14,16-20H2,1-11H3/t22-,23-,24-,25+,26+,27-,32+,34-,35+,36+,37+,38+,39-,40+,41-,42+,45+,46+,47-,48+,52+,53-,54+,55+,57+/m0/s1
InChIKeyZIUTZULQAIKKKE-WLXBRZQUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3346192)
ChEBI Ontology
Outgoing Relation(s)
Demethylolivomycin A (CHEBI:224834) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(2S,3R,4R,6R)-6-[(2S,3R,4R,6R)-6-[(2R,3S,4R,6S)-6-[[(2R,3R)-6-[(2S,4R,5R,6R)-5-acetyloxy-4-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(1S,3R,4S)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate
Manual XrefsDatabases
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