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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-(S)-variecolortide D
ChEBI ID CHEBI:216876
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H43N3O7
Net Charge 0
Average Mass 725.842
Monoisotopic Mass 725.31010
InChI InChI=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
InChIKey JFDWXLHLIPDPPE-VJPKEJTJSA-N
SMILES O=C/1N[C@@]2(OC3=C4C(C(=O)C5=C(C4=C2)C=C(O)C=C5O)=C(O)C=C3C)C(=O)N\C1=C/C=6C7=C(C(=CC(=C7)CC=C(C)C)CC=C(C)C)NC6C(C=C)(C)C
Metabolite of Species Details
Aspergillus ruber (NCBI:txid396024) See: DOI
ChEBI Ontology
Outgoing (-)-(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