input word = C00040255

Metabolite InformationStructural formula
Name Schulzeine A
Formula C42H72N2O16S3
Mw 956.40439646
CAS RN 652161-51-8
C_ID C00040255 ,
InChIKey SYZZECYDLOQBIA-LGSRRTJFNA-N
InChICode InChI=1S/C42H72N2O16S3/c1-3-4-5-6-13-16-19-31(2)28-39(60-63(55,56)57)38(59-62(52,53)54)25-22-34(58-61(49,50)51)20-17-14-11-9-7-8-10-12-15-18-21-40(47)43-35-23-24-36-41-32(26-27-44(36)42(35)48)29-33(45)30-37(41)46/h29-31,34-36,38-39,45-46H,3-28H2,1-2H3,(H,43,47)(H,49,50,51)(H,52,53,54)(H,55,56,57)/t31-,34+,35+,36-,38+,39+/m1/s1
SMILES c1c(cc2c(c1O)[C@@H]1N(CC2)C(=O)[C@H](CC1)NC(=O)CCCCCCCCCCCC[C@@H](CC[C@@H]([C@H](C[C@@H](CCCCCCCC)C)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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