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CHEBI:224229 - Aabomycin A

ChEBI IDCHEBI:224229
ChEBI NameAabomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66O10
Net Charge0
Average Mass706.958
Monoisotopic Mass706.46560
SMILESCCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C
InChIInChI=1S/C40H66O10/c1-10-32(41)29(8)36(44)26(5)20-28(7)38-27(6)19-23(2)15-16-31(48-35-21-33(42)37(45)30(9)47-35)14-12-11-13-24(3)39-25(4)17-18-40(46,50-39)22-34(43)49-38/h13,15-17,23,26-31,33,35-39,42,44-46H,10-12,14,18-22H2,1-9H3/b16-15+,24-13+/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,40+/m0/s1
InChIKeyVIOYQVOQUWWSAB-KEXSXYLYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5350501)
ChEBI Ontology
Outgoing Relation(s)
Aabomycin A (CHEBI:224229) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,5S,6R,8R,9E,11R,15E,17R)-11-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
Manual XrefsDatabases
8208283ChemSpider