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CHEBI:228006 - (1'S,2'R,3'R,4'R,5'R)-decilorene B

ChEBI IDCHEBI:228006
ChEBI Name(1'S,2'R,3'R,4'R,5'R)-decilorene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H25NO7
Net Charge0
Average Mass475.497
Monoisotopic Mass475.16310
SMILESCc1ccc2c(O)c3c(cc2c1)C(=O)c1ccc2c(c1C3=O)O[C@H]1O[C@@]2(C)[C@H](O)[C@H](N(C)C)[C@H]1O
InChIInChI=1S/C27H25NO7/c1-11-5-6-13-12(9-11)10-15-17(21(13)30)22(31)18-14(20(15)29)7-8-16-24(18)34-26-23(32)19(28(3)4)25(33)27(16,2)35-26/h5-10,19,23,25-26,30,32-33H,1-4H3/t19-,23-,25-,26+,27-/m1/s1
InChIKeyXLECZCSIGXLRMK-GQTURSPNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.phytol.2019.01.031)
ChEBI Ontology
Outgoing Relation(s)
(1'S,2'R,3'R,4'R,5'R)-decilorene B (CHEBI:228006) is a quinone (CHEBI:36141)
(1'S,2'R,3'R,4'R,5'R)-decilorene B (CHEBI:228006) is a tetracenes (CHEBI:51270)
IUPAC Name 
(1R,21S,22R,23S,24R)-23-(dimethylamino)-15,22,24-trihydroxy-1,11-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,10,12,14-octaene-6,17-dione
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71360639ChemSpider