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CHEBI:216876 - (-)-(S)-variecolortide D

ChEBI IDCHEBI:216876
ChEBI Name(-)-(S)-variecolortide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H43N3O7
Net Charge0
Average Mass725.842
Monoisotopic Mass725.31010
SMILESC=CC(C)(C)c1nc2c(CC=C(C)C)cc(CC=C(C)C)cc2c1/C=C1\NC(=O)[C@@]2(C=C3c4cc(O)cc(O)c4C(=O)c4c(O)cc(C)c(c43)O2)NC1=O
InChIInChI=1S/C44H43N3O7/c1-9-43(7,8)40-29(28-16-24(12-10-21(2)3)15-25(37(28)46-40)13-11-22(4)5)19-31-41(52)47-44(42(53)45-31)20-30-27-17-26(48)18-33(50)34(27)38(51)36-32(49)14-23(6)39(54-44)35(30)36/h9-11,14-20,46,48-50H,1,12-13H2,2-8H3,(H,45,53)(H,47,52)/b31-19-/t44-/m0/s1
InChIKeyJFDWXLHLIPDPPE-VJPKEJTJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ruber (ncbitaxon:396024) - DOI (10.1016/j.tet.2020.131258)
ChEBI Ontology
Outgoing Relation(s)
(-)-(S)-variecolortide D (CHEBI:216876) is a organic heterotricyclic compound (CHEBI:26979)
(-)-(S)-variecolortide D (CHEBI:216876) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(6'Z,15S)-4,6,10-trihydroxy-12-methyl-6'-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]spiro[14-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-15,3'-piperazine]-2',5',8-trione