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CHEBI:209553 - Ustilobisorbicillinol A

ChEBI IDCHEBI:209553
ChEBI NameUstilobisorbicillinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H32O10
Net Charge0
Average Mass612.631
Monoisotopic Mass612.19955
SMILESC/C=C/C=C/C(=O)c1cc2c3c(c(O)c(O)c2c(C)c1O)C(=O)[C@H]1[C@@H]2C(=C(O)/C=C/C=C/C)C(=O)[C@]4(C)C(=O)[C@@]2(C)O[C@@]1(O)[C@@H]34
InChIInChI=1S/C35H32O10/c1-6-8-10-12-18(36)16-14-17-20(15(3)26(16)38)28(40)29(41)23-21(17)30-33(4)31(42)22(19(37)13-11-9-7-2)24-25(27(23)39)35(30,44)45-34(24,5)32(33)43/h6-14,24-25,30,37-38,40-41,44H,1-5H3/b8-6+,9-7+,12-10+,13-11+,22-19?/t24-,25+,30-,33+,34-,35+/m0/s1
InChIKeyWTLLQIFQVMECCR-PADNCOKGSA-N
Species of MetaboliteComponentSourceComments
Ustilaginoidea virens (ncbitaxon:1159556) - PubMed (30785293)
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)
Ustilobisorbicillinol A (CHEBI:209553) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(2S,3S,5S,7R,10R,11R)-19-[(2E,4E)-hexa-2,4-dienoyl]-3,14,15,18-tetrahydroxy-9-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-5,7,17-trimethyl-4-oxahexacyclo[11.8.0.02,7.03,11.05,10.016,21]henicosa-1(13),14,16,18,20-pentaene-6,8,12-trione