input word = C00034667

Metabolite InformationStructural formula
Name Russelioside H
(+)-Russelioside H
Formula C55H88O21
Mw 1084.58180988
CAS RN 461052-96-0
C_ID C00034667 ,
InChIKey ATVAYGBAIBTJJC-DAPJDNHRNA-N
InChICode InChI=1S/C55H88O21/c1-13-25(2)50(62)73-39-21-35-34(55(63)19-17-33(54(39,55)9)26(3)67-30(7)57)15-14-31-20-32(16-18-53(31,35)8)71-40-22-36(64-10)46(27(4)68-40)74-41-23-37(65-11)47(28(5)69-41)75-52-45(61)49(66-12)48(29(6)70-52)76-51-44(60)43(59)42(58)38(24-56)72-51/h13-14,26-29,32-49,51-52,56,58-61,63H,15-24H2,1-12H3/b25-13+/t26-,27-,28-,29-,32+,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,49-,51+,52+,53+,54+,55+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1[C@H](OC(=O)C)C)O)C)OC(=O)/C(=C/C)/C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCaralluma russeliana Ref.
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OrganismCaralluma russeliana
ReferenceAbdel-Sattar,Phytochem.,68,(2007),1459