input word = C00037256

Metabolite InformationStructural formula
Name Helixoside B
Formula C54H88O23
Mw 1104.57163912
CAS RN 134515-62-1
C_ID C00037256 ,
InChIKey YPIHCZNMLNJVSW-MJKLANMANA-N
InChICode InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-42(68)38(64)35(61)28(74-46)22-70-44-40(66)36(62)32(58)25(19-55)71-44)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)75-47-43(39(65)34(60)27(21-57)73-47)76-45-41(67)37(63)33(59)26(20-56)72-45/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,51-,52+,53+,54-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(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)CO)O)O)O)O)O)CO)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHedera helix L. Ref.
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