input word = C00030053

Metabolite InformationStructural formula
Name Curassavioside I1
Formula C55H84O19
Mw 1048.5606805
CAS RN 1035606-29-1
C_ID C00030053 ,
InChIKey SQJXSGAFKJUKQM-HIWQHQPJNA-N
InChICode InChI=1S/C55H84O19/c1-28-46(58)37(63-8)24-43(66-28)73-48-31(4)69-45(26-39(48)65-10)74-49-30(3)68-44(25-38(49)64-9)72-47-29(2)67-42(23-36(47)57)70-35-17-18-51(6)34(22-35)16-19-54(61)40(51)27-41(71-50(59)33-14-12-11-13-15-33)52(7)53(60,32(5)56)20-21-55(52,54)62/h11-16,28-32,35-49,56-58,60-62H,17-27H2,1-10H3/t28-,29-,30-,31-,32+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46-,47-,48-,49-,51+,52-,53-,54+,55-/m1/s1
SMILES CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4[C@@H](O)C[C@H](O[C@H]5CC[C@@]6(C)C(=CC[C@]7(O)[C@@H]6C[C@@H](OC(=O)c6ccccc6)[C@@]6(C)[C@]7(O)CC[C@@]6(O)[C@H](C)O)C5)O[C@@H]4C)C[C@H]3OC)C[C@H]2OC)O[C@H](C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
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OrganismAsclepias curassavica
ReferenceWarashina,Chem.Pharm.Bull.,56,(2008),315