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CHEBI:219814 - K-41A

ChEBI IDCHEBI:219814
ChEBI NameK-41A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82O18
Net Charge0
Average Mass947.166
Monoisotopic Mass946.55012
SMILESCO[C@H]1CC[C@H](O[C@H]2[C@H](C)[C@@H]([C@H]3CC[C@H]([C@@H]4CC[C@H]([C@@]5(C)O[C@]6(O[C@H](C[C@@H]7O[C@](O)([C@@H](O)C(=O)O)[C@@H](C)[C@H](OC)[C@@]7(C)OC)C[C@@H](OC)[C@H]6C)[C@H](C)[C@H]5OC)O4)O3)O[C@](C)(O)[C@@H]2C)O[C@@H]1C
InChIInChI=1S/C48H82O18/c1-23-38(62-37-20-18-30(54-10)28(6)59-37)25(3)46(9,52)65-39(23)33-16-15-31(60-33)32-17-19-35(61-32)45(8)42(57-13)27(5)48(66-45)24(2)34(55-11)21-29(63-48)22-36-44(7,58-14)41(56-12)26(4)47(53,64-36)40(49)43(50)51/h23-42,49,52-53H,15-22H2,1-14H3,(H,50,51)/t23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,44-,45+,46-,47-,48-/m0/s1
InChIKeyQFHLVPYVNFSTBE-SMAIMEEGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (438102)
ChEBI Ontology
Outgoing Relation(s)
K-41A (CHEBI:219814) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-2-hydroxy-6-[[(2R,3R,4R,5S,6R,7R,9S)-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4,5-dimethoxy-3,5-dimethyloxan-2-yl]acetic acid
Manual XrefsDatabases
2342008ChemSpider