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CHEBI:197732 - Spirangien G

ChEBI IDCHEBI:197732
ChEBI NameSpirangien G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O10
Net Charge0
Average Mass718.969
Monoisotopic Mass718.46560
SMILESCO[C@H](/C=C\C=C\C=C/C=C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@@H](C)[C@@H]([C@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/CO)O2)[C@@H](O)C[C@@H]1C)CC(=O)O
InChIInChI=1S/C41H66O10/c1-26(20-21-42)22-28(3)38(47)32(7)40-30(5)34(49-9)25-41(51-40)35(43)23-29(4)39(50-41)31(6)37(46)27(2)18-16-14-12-10-11-13-15-17-19-33(48-8)24-36(44)45/h10-20,27-35,37-40,42-43,46-47H,21-25H2,1-9H3,(H,44,45)/b11-10-,14-12+,15-13+,18-16-,19-17-,26-20+/t27-,28-,29-,30+,31-,32+,33+,34+,35-,37-,38-,39-,40-,41+/m0/s1
InChIKeySTVCQEJBQVSPCR-RDDIVXQQSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/ejoc.201403353)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spirangien G (CHEBI:197732) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-16-[(2R,3R,4R,6R,8S,9S,11S)-2-[(E,2R,3S,4S)-3,8-dihydroxy-4,6-dimethyloct-6-en-2-yl]-11-hydroxy-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-15-hydroxy-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid
Manual XrefsDatabases
78436261ChemSpider