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CHEBI:212728 - Dermocanarin 7

ChEBI IDCHEBI:212728
ChEBI NameDermocanarin 7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H46O15
Net Charge0
Average Mass886.903
Monoisotopic Mass886.28367
SMILESCOc1cc(OC)c2c(c1)[C@@](O)(c1c3c(c(O)c4c(OC)cc(OC)cc14)-c1c(OC)cc4cc5c(c(O)c4c1OC(=O)C[C@](C)(O)C3)C(=O)C[C@](C)(O)C5)c1cc(C)cc(O)c1C2=O
InChIInChI=1S/C50H46O15/c1-21-9-28-40(30(51)10-21)46(56)41-29(14-25(61-5)16-34(41)64-8)50(28,59)43-26-13-24(60-4)15-33(63-7)38(26)45(55)39-27(43)18-49(3,58)20-35(53)65-47-37-22(12-32(62-6)42(39)47)11-23-17-48(2,57)19-31(52)36(23)44(37)54/h9-16,51,54-55,57-59H,17-20H2,1-8H3/t48-,49-,50-/m1/s1
InChIKeyNZFJBAZBFQBROR-KXSRAAHWSA-N
Species of MetaboliteComponentSourceComments
Dermocybespecies (ncbitaxon:2506242) - DOI (10.1071/ch99077)
ChEBI Ontology
Outgoing Relation(s)
Dermocanarin 7 (CHEBI:212728) is a anthracenes (CHEBI:46955)
IUPAC Name 
(13R,23R)-10-[(9R)-5,9-dihydroxy-2,4-dimethoxy-7-methyl-10-oxoanthracen-9-yl]-3,13,19,23-tetrahydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(17),2,4(9),5,7,10,18,20(25),26,28-decaene-15,21-dione
Manual XrefsDatabases
78438014ChemSpider