input word = C00006714

Metabolite InformationStructural formula
Name Vincanin A
Formula C33H41O20
Mw 757.21911875
CAS RN 68600-14-6
C_ID C00006714 ,
InChIKey FKFABTFUSKHNFQ-JTIMQXMENA-O
InChICode InChI=1S/C33H40O20/c1-9-20(37)24(41)27(44)31(48-9)47-8-19-23(40)26(43)29(46)33(53-19)52-18-7-13-16(50-30(18)11-3-14(35)22(39)15(36)4-11)5-12(34)6-17(13)51-32-28(45)25(42)21(38)10(2)49-32/h3-7,9-10,19-21,23-29,31-33,37-38,40-46H,8H2,1-2H3,(H3-,34,35,36,39)/p+1/t9-,10+,19+,20-,21-,23-,24-,25-,26-,27-,28+,29+,31+,32-,33+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeVinca major Ref.
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