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CHEBI:204898 - Protohypericin

ChEBI IDCHEBI:204898
ChEBI NameProtohypericin
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SubmitterMetaboLights
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FormulaC30H18O8
Net Charge0
Average Mass506.466
Monoisotopic Mass506.10017
SMILESCc1cc(=O)c2c(O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(O)c7c(=O)cc(C)cc7c(c65)c(c2c1)c34
InChIInChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,33-38H,1-2H3
InChIKeyDPKVSJZTYNGFAW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cortinarius austrovenetus (ncbitaxon:742016) - DOI (10.1021/np50060a035)
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)
Protohypericin (CHEBI:204898) is a phenanthrol (CHEBI:25962)
IUPAC Name 
9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione
Manual XrefsDatabases
78432344ChemSpider