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CHEBI:225701 - Phaeosphaerin D

ChEBI IDCHEBI:225701
ChEBI NamePhaeosphaerin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O11
Net Charge0
Average Mass564.543
Monoisotopic Mass564.16316
SMILESCOc1c2c3c4c5c(c(=O)cc(OC)c5c5c(OC)cc(=O)c(c1O)c35)=C(O)[C@@H](OC)[C@@]41C[C@H](C)O[C@]2(O)[C@]1(C)O
InChIInChI=1S/C30H28O11/c1-10-9-29-22-20-16(25(34)27(29)40-6)12(32)8-14(38-4)18(20)17-13(37-3)7-11(31)15-19(17)21(22)23(26(39-5)24(15)33)30(36,41-10)28(29,2)35/h7-8,10,27,33-36H,9H2,1-6H3/t10-,27+,28+,29+,30-/m0/s1
InChIKeyUQNLULJBEWDSPV-ADIQIQHOSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeriaspecies (ncbitaxon:1715242) - PubMed (22276650)
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)
Phaeosphaerin D (CHEBI:225701) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(1R,2S,21S,23S,25R)-3,18,21,25-tetrahydroxy-2,7,14,19-tetramethoxy-23,25-dimethyl-22-oxaheptacyclo[19.3.1.01,10.04,9.08,13.011,20.012,17]pentacosa-3,6,8(13),9,11(20),12(17),14,18-octaene-5,16-dione
Manual XrefsDatabases
78438320ChemSpider