input word = C00030039

Metabolite InformationStructural formula
Name Curassavioside B1
Formula C48H72O16
Mw 904.48203625
CAS RN 1035606-07-5
C_ID C00030039 ,
InChIKey IGPQJJFEKKAFBQ-WKSCPOJKNA-N
InChICode InChI=1S/C48H72O16/c1-25-40(51)33(56-7)22-38(58-25)64-42-27(3)60-39(23-34(42)57-8)63-41-26(2)59-37(21-32(41)50)61-31-15-16-44(5)30(20-31)14-17-47(54)35(44)24-36(62-43(52)29-12-10-9-11-13-29)45(6)46(53,28(4)49)18-19-48(45,47)55/h9-14,25-28,31-42,49-51,53-55H,15-24H2,1-8H3/t25-,26-,27-,28+,31+,32+,33-,34+,35-,36-,37+,38+,39+,40-,41-,42-,44+,45-,46-,47+,48-/m1/s1
SMILES CO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)c4ccccc4)[C@@]4(C)[C@]5(O)CC[C@@]4(O)[C@H](C)O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1
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