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CHEBI:221663 - 02-3G

ChEBI IDCHEBI:221663
ChEBI Name02-3G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H78O24
Net Charge0
Average Mass1099.183
Monoisotopic Mass1098.48830
SMILESCO[C@H]1[C@H](O)C[C@@H](O[C@@H]2C[C@H](Oc3cc4cc5c(c(O)c4c(O)c3C)C(=O)[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]6C[C@](C)(O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)[C@H]([C@H](OC)C(=O)[C@H](O)[C@@H](C)O)C5)O[C@H](C)[C@@H]2O)O[C@H]1C
WURCSWURCS=2.0/4,5,4/[ad122m-1b_1-5][ad112m-1b_1-5][ad121m-1b_1-5_4*OC][ad611m-1a_1-5_3*C]/1-2-3-2-4/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/12)C(/11)O(/9)CC^SC^SCC^RC^RC/20O/19O/18=O/17OC/16C^SO*2/27C($8/7)O/30=O_a3-d1_b3-c1_d3-e1
InChIInChI=1S/C53H78O24/c1-19-30(73-35-15-31(43(58)21(3)68-35)74-34-14-29(55)49(66-9)24(6)71-34)13-27-11-26-12-28(50(67-10)48(63)42(57)20(2)54)51(47(62)40(26)46(61)39(27)41(19)56)77-37-17-32(44(59)23(5)70-37)75-36-16-33(45(60)22(4)69-36)76-38-18-53(8,65)52(64)25(7)72-38/h11,13,20-25,28-29,31-38,42-45,49-52,54-61,64-65H,12,14-18H2,1-10H3/t20-,21-,22-,23-,24+,25+,28+,29-,31-,32-,33-,34-,35+,36+,37+,38+,42-,43+,44-,45+,49-,50+,51+,52+,53+/m1/s1
InChIKeyUZZCFUQRSLEKFX-NRWDCYODSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2307622)
ChEBI Ontology
Outgoing Relation(s)
02-3G (CHEBI:221663) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2S,3S)-2-[(2S,4R,5R,6R)-4-[(2S,4R,5S,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S,3R,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-6-[(2S,4R,5S,6R)-5-hydroxy-4-[(2R,4R,5S,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-7-methyl-3,4-dihydro-2H-anthracen-1-one
Manual XrefsDatabases
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