input word = C00040257

Metabolite InformationStructural formula
Name Schulzeine C
Formula C41H70N2O16S3
Mw 942.38874639
CAS RN 652161-53-0
C_ID C00040257 ,
InChIKey AQPLHNTYYAMOII-CWAIMZNFNA-N
InChICode InChI=1S/C41H70N2O16S3/c1-2-3-4-5-6-12-15-18-21-37(58-61(51,52)53)38(59-62(54,55)56)26-23-33(57-60(48,49)50)20-17-14-11-9-7-8-10-13-16-19-22-39(46)42-34-24-25-35-40-31(27-28-43(35)41(34)47)29-32(44)30-36(40)45/h29-30,33-35,37-38,44-45H,2-28H2,1H3,(H,42,46)(H,48,49,50)(H,51,52,53)(H,54,55,56)/t33-,34-,35+,37-,38-/m0/s1
SMILES c1c(cc2c(c1O)[C@@H]1N(CC2)C(=O)[C@H](CC1)NC(=O)CCCCCCCCCCCC[C@@H](CC[C@@H]([C@H](CCCCCCCCCC)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Penares schulzei Ref.
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OrganismPenares schulzei
ReferenceNakao,J.Nat.Prod.,70,(2007),689