input word = C00037255

Metabolite InformationStructural formula
Name Helixoside A
Formula C54H88O24
Mw 1120.56655374
CAS RN 134515-63-2
C_ID C00037255 ,
InChIKey VKICMPRVQHZPRV-QBPIFWSLNA-N
InChICode InChI=1S/C54H88O24/c1-49(2)13-15-54(48(70)78-46-42(69)38(65)35(62)28(75-46)21-71-44-40(67)36(63)32(59)25(18-55)72-44)16-14-52(5)23(24(54)17-49)7-8-30-50(3)11-10-31(51(4,22-58)29(50)9-12-53(30,52)6)76-47-43(39(66)34(61)27(20-57)74-47)77-45-41(68)37(64)33(60)26(19-56)73-45/h7,24-47,55-69H,8-22H2,1-6H3/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46+,47-,50-,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]([C@]1(CO)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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