input word = C00032201

Metabolite InformationStructural formula
Name Stellatoside A
(+)-Stellatoside A
Formula C48H76O18
Mw 940.50316563
CAS RN 916332-47-3
C_ID C00032201 ,
InChIKey KSHNVSGSGSIHEA-FJDHHKNNNA-N
InChICode InChI=1S/C48H76O18/c1-19-28(49)29(50)33(54)39(60-19)64-35-20(2)61-40(34(55)32(35)53)66-37-31(52)30(51)36(38(56)57)65-41(37)63-25-13-14-45(7)23(43(25,3)4)12-15-47(9)24(45)11-10-21-26-27(44(5,6)59)22-18-48(26,42(58)62-22)17-16-46(21,47)8/h19-37,39-41,49-55,59H,10-18H2,1-9H3,(H,56,57)/t19-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37+,39-,40-,41+,45-,46+,47+,48+/m0/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@]3(CC2)C(=O)O[C@H]([C@H]1C(O)(C)C)C3)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus stellatus Ref.
--Stenoccereus stellatus Ref.
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OrganismStenocereus stellatus
ReferenceDjerassi,C.et al.,JACS,77,(1955),1200