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CHEBI:203532 - Spirangiene A

ChEBI IDCHEBI:203532
ChEBI NameSpirangiene A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H66O9
Net Charge0
Average Mass702.970
Monoisotopic Mass702.47068
SMILESC/C=C(\C)CC(C)C(O)C(C)C1OC2(CC(OC)C1C)OC(C(C)C(O)C(C)/C=C/C=C/C=C/C=C/C=C/C(CC(=O)O)OC)C(C)CC2O
InChIInChI=1S/C41H66O9/c1-11-26(2)22-28(4)38(46)32(8)40-30(6)34(48-10)25-41(50-40)35(42)23-29(5)39(49-41)31(7)37(45)27(3)20-18-16-14-12-13-15-17-19-21-33(47-9)24-36(43)44/h11-21,27-35,37-40,42,45-46H,22-25H2,1-10H3,(H,43,44)/b13-12+,16-14+,17-15+,20-18+,21-19+,26-11+
InChIKeyAFMLAWKHRYYCHM-PONMLJHPSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/ejoc.200500425)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spirangiene A (CHEBI:203532) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(4E,6E,8E,10E,12E)-15-hydroxy-16-[11-hydroxy-2-[(E)-3-hydroxy-4,6-dimethyloct-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid
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