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CHEBI:141541 - (7Z,10S,11SS,12R,13S,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone

ChEBI IDCHEBI:141541
ChEBI Name(7Z,10S,11SS,12R,13S,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone
Stars
ASCII Name(7Z,10S,11SS,12R,13S,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone
Last Modified7 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC35H45NO10
Net Charge0
Average Mass639.742
Monoisotopic Mass639.30435
SMILESC/C1=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)C(CO)/C=C(/C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC1=O)C3=O
InChIInChI=1S/C35H45NO10/c1-15-9-8-10-16(2)35(46)36-24-13-25(38)26-23(34(24)45)12-18(4)30(41)27(26)29(40)17(3)11-22(14-37)33(44)21(7)32(43)20(6)31(42)19(5)28(15)39/h8-13,15,19-22,28,31-33,37,39,41-44H,14H2,1-7H3,(H,36,46)/b9-8-,16-10-,17-11-/t15-,19+,20-,21+,22?,28-,31+,32-,33+/m0/s1
InChIKeyDWSNNJANRGBGNU-BJNAWPKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(7Z,10S,11SS,12R,13S,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone (CHEBI:141541) is a p-quinones (CHEBI:25830)
(7Z,10S,11SS,12R,13S,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone (CHEBI:141541) is a macrocycle (CHEBI:51026)
(7Z,10S,11SS,12R,13S,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-Pentahydroxy-9-(hydroxymethyl)-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.0~5,27~]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone (CHEBI:141541) is a polyketide (CHEBI:26188)
IUPAC Name 
(6Z,8Z,10S,11S,12R,13R,14S,15R,16S,17S,19Z)-11,13,15,17,22-pentahydroxy-18-(hydroxymethyl)-6,10,12,14,16,20,23-heptamethyl-11,12,13,14,15,16,17,18-octahydro-1H-3,25-methano-4-benzazacyclotricosine-1,5,21,26(4H,10H)-tetrone