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CHEBI:209740 - Donghaesulfin A

ChEBI IDCHEBI:209740
ChEBI NameDonghaesulfin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H42O10S
Net Charge0
Average Mass738.855
Monoisotopic Mass738.24987
SMILESCOc1cccc2c1[C@@H](OC)c1c(Sc3cc4c(c5c3[C@H](OC)c3c(OC)cccc3[C@@H]5O)C(=O)C[C@@H](C)[C@@H]4O)cc3c(c1[C@H]2O)C(=O)C[C@@H](C)[C@@H]3O
InChIInChI=1S/C42H42O10S/c1-17-13-23(43)29-21(37(17)45)15-27(33-35(29)39(47)19-9-7-11-25(49-3)31(19)41(33)51-5)53-28-16-22-30(24(44)14-18(2)38(22)46)36-34(28)42(52-6)32-20(40(36)48)10-8-12-26(32)50-4/h7-12,15-18,37-42,45-48H,13-14H2,1-6H3/t17-,18-,37+,38+,39+,40+,41-,42-/m1/s1
InChIKeyCAABZWMUMPQUKQ-PSDUGAAPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31033298)
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)
Donghaesulfin A (CHEBI:209740) is a phenanthrol (CHEBI:25962)
IUPAC Name 
(3R,4S,7R,12S)-6-[[(3R,4S,7R,12S)-4,12-dihydroxy-7,8-dimethoxy-3-methyl-1-oxo-3,4,7,12-tetrahydro-2H-benzo[a]anthracen-6-yl]sulanyl]-4,12-dihydroxy-7,8-dimethoxy-3-methyl-3,4,7,12-tetrahydro-2H-benzo[a]anthracen-1-one