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CHEBI:225449 - Tuscoron A

ChEBI IDCHEBI:225449
ChEBI NameTuscoron A
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FormulaC30H46O8
Net Charge0
Average Mass534.690
Monoisotopic Mass534.31927
SMILESCCC1=CC(/C(C)=C/C(C)(O)CCC(OC)C(C)C(O)C(C)/C=C2\OC(C)=CC2=O)OC(C(C)C(=O)O)C1
InChIInChI=1S/C30H46O8/c1-9-22-14-25(38-26(15-22)21(6)29(33)34)18(3)16-30(7,35)11-10-24(36-8)20(5)28(32)17(2)12-27-23(31)13-19(4)37-27/h12-14,16-17,20-21,24-26,28,32,35H,9-11,15H2,1-8H3,(H,33,34)/b18-16+,27-12-
InChIKeyHGZZJECQIVGACE-XLPZVKSESA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/ejoc.200300539)
ChEBI Ontology
Outgoing Relation(s)
Tuscoron A (CHEBI:225449) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
2-[6-[(E,11Z)-4,9-dihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxouran-2-ylidene)undec-2-en-2-yl]-4-ethyl-3,6-dihydro-2H-pyran-2-yl]propanoic acid
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