input word = C00028011

Metabolite InformationStructural formula
Name Caribaeoside
Formula C35H48N2O11
Mw 672.32581039
CAS RN 259728-79-5
C_ID C00028011 ,
InChIKey KGOMYXIKIJGWKS-QEGSUAAMNA-N
InChICode InChI=1S/C35H48N2O11/c1-20(2)24-10-11-33(4,42)26-15-28(47-29(40)9-8-23-16-37(6)19-36-23)34(5)12-13-35(43-7,48-34)22(14-25(24)26)17-44-32-31(46-21(3)38)30(41)27(39)18-45-32/h8-14,16,19-20,24-28,30-32,39,41-42H,15,17-18H2,1-7H3/b9-8+,22-14-/t24-,25+,26-,27+,28-,30+,31+,32+,33+,34-,35+/m0/s1
SMILES [C@H]1(OC(=O)/C=C/c2ncn(c2)C)C[C@H]2[C@@H]([C@@H](C=C[C@@]2(C)O)C(C)C)/C=C(\[C@]2(C=C[C@@]1(O2)C)OC)/CO[C@@H]1OC[C@H]([C@H]([C@H]1OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Erythropodium caribaeorum Ref.
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OrganismErythropodium caribaeorum
ReferenceCinel,Org.Lett.,2,(2000),257