input word = C00032691

Metabolite InformationStructural formula
Name Acankoreoside C
(-)-Acankoreoside C
Formula C54H88O23
Mw 1104.57163912
CAS RN 230972-19-7
C_ID C00032691 ,
InChIKey JVOIMQGIODZVSL-SMHHMBTLNA-N
InChICode InChI=1S/C54H88O23/c1-21(2)23-9-14-54(49(69)77-48-41(67)37(63)34(60)28(74-48)20-70-45-42(68)38(64)43(27(19-56)73-45)76-46-39(65)35(61)32(58)22(3)71-46)16-15-52(7)24(31(23)54)17-25(57)44-51(6)12-11-30(50(4,5)29(51)10-13-53(44,52)8)75-47-40(66)36(62)33(59)26(18-55)72-47/h22-48,55-68H,1,9-20H2,2-8H3/t22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1
SMILES [C@@H]12[C@@](CC[C@@]3([C@@H]1C[C@H]([C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H](C3(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)O)C)(CC[C@H]2C(=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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAcanthopanax gracilistylus Ref.
PlantaeAraliaceaeAcanthopanax koreanum Ref.
PlantaeAraliaceaeAcanthopanax trifoliatus Ref.
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