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CHEBI:204259 - SY-1

ChEBI IDCHEBI:204259
ChEBI NameSY-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H70O10
Net Charge0
Average Mass735.012
Monoisotopic Mass734.49690
SMILESCC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=CC[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C
InChIInChI=1S/C42H70O10/c1-11-30(38(45)46)32-16-15-24(4)36(49-32)28(8)34(43)27(7)35(44)31(12-2)37-25(5)23-26(6)42(50-37)19-14-18-41(52-42)22-21-39(10,51-41)33-17-20-40(47,13-3)29(9)48-33/h14,19,24-34,36-37,43,47H,11-13,15-18,20-23H2,1-10H3,(H,45,46)/t24-,25-,26+,27-,28-,29-,30+,31-,32+,33+,34+,36+,37-,39-,40+,41+,42-/m0/s1
InChIKeyXLVIXTBNHCWLTO-HSSAWGIDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1080/00021369.1978.10863318)
ChEBI Ontology
Outgoing Relation(s)
SY-1 (CHEBI:204259) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid
Manual XrefsDatabases
78442585ChemSpider