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CHEBI:222212 - Crisamicin C

ChEBI IDCHEBI:222212
ChEBI NameCrisamicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H22O13
Net Charge0
Average Mass614.515
Monoisotopic Mass614.10604
SMILESC[C@@H]1O[C@H]2CC(=O)O[C@H]2C2=C1C(=O)c1cc(-c3cc(O)c4c(c3)C(=O)[C@]35O[C@@]3(C4=O)[C@@H]3OC(=O)C[C@H]3O[C@@H]5C)cc(O)c1C2=O
InChIInChI=1S/C32H22O13/c1-9-21-24(27-17(41-9)7-19(35)43-27)26(38)22-13(25(21)37)3-11(5-15(22)33)12-4-14-23(16(34)6-12)29(40)32-30-18(8-20(36)44-30)42-10(2)31(32,45-32)28(14)39/h3-6,9-10,17-18,27,30,33-34H,7-8H2,1-2H3/t9-,10+,17-,18+,27+,30+,31-,32-/m0/s1
InChIKeyCHWSBZJOQBRSAL-BAVHMYRHSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (3356603)
ChEBI Ontology
Outgoing Relation(s)
Crisamicin C (CHEBI:222212) is a lactone (CHEBI:25000)
Crisamicin C (CHEBI:222212) is a lignan (CHEBI:25036)
IUPAC Name 
(1R,10S,11R,15R,17R)-7-hydroxy-5-[(11S,15S,17S)-7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl]-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3(8),4,6-triene-2,9,13-trione