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CHEBI:224455 - Hypomycin E

ChEBI IDCHEBI:224455
ChEBI NameHypomycin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26O9
Net Charge0
Average Mass518.518
Monoisotopic Mass518.15768
SMILESCOc1c2c3c4c5c(c(=O)cc(OC)c5c5c(OC)cc(=O)c(c1O)c35)=C(O)C[C@]41C[C@](C)(O)[C@H]2[C@]1(C)O
InChIInChI=1S/C29H26O9/c1-27(34)9-29-8-12(32)15-10(30)6-14(37-4)18-17-13(36-3)7-11(31)16-19(17)21(23(29)20(15)18)22(25(38-5)24(16)33)26(27)28(29,2)35/h6-7,26,32-35H,8-9H2,1-5H3/t26-,27-,28-,29-/m0/s1
InChIKeyOPQIHJUOAUBODM-DZUOILHNSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Hypomycin E (CHEBI:224455) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(1R,21S,22S,24S)-3,18,22,24-tetrahydroxy-7,14,19-trimethoxy-22,24-dimethylheptacyclo[19.2.1.01,10.04,9.08,13.011,20.012,17]tetracosa-3,6,8(13),9,11(20),12(17),14,18-octaene-5,16-dione