CHEBI:199910 - Eurocristatine

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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 Eurocristatine
ChEBI ID CHEBI:199910
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H36N6O4
Net Charge 0
Average Mass 568.678
Monoisotopic Mass 568.27980
InChI InChI=1S/C32H36N6O4/c1-15(2)23-27(41)37-21(25(39)35-23)13-31(17-9-5-7-11-19(17)33-29(31)37)32-14-22-26(40)36-24(16(3)4)28(42)38(22)30(32)34-20-12-8-6-10-18(20)32/h5-12,15-16,21-24,29-30,33-34H,13-14H2,1-4H3,(H,35,39)(H,36,40)/t21-,22-,23+,24+,29+,30+,31-,32?/m0/s1
InChIKey VKGJCECPEIOHGI-JSWPSKBPSA-N
SMILES O=C1N2[C@H]3NC=4C=CC=CC4C3([C@@]56C7=C(C=CC=C7)N[C@@H]5N8C(=O)[C@@H](C(C)C)NC([C@@H]8C6)=O)C[C@H]2C(=O)N[C@@H]1C(C)C
Metabolite of Species Details
Aspergillus cristatus (NCBI:txid573508) See: DOI
ChEBI Ontology
Outgoing Eurocristatine (CHEBI:199910) is a pyrroloindole (CHEBI:48133)
IUPAC Name
(1R,4R,7S,9R)-9-[(1R,4R,7S,9R)-3,6-dioxo-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-4-propan-2-yl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual Xref Database
29215256 ChemSpider
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