input word = C00003528

Metabolite InformationStructural formula
Name Sapindoside A
(+)-Sapindoside A
Kalopanaxsaponin A
(+)-Kalopanaxsaponin A
alpha-Hederin
Hederagenin 3-O-alpha-L-rhamnopyranosyl(1->2)-alpha-L-arabinopyranoside
Formula C41H66O12
Mw 750.45542757
CAS RN 27013-91-8
C_ID C00003528 ,
InChIKey KEOITPILCOILGM-MEQJUMFDNA-N
InChICode InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,37-,38-,39+,40+,41-/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)CO)O[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaeHedera helix Ref.
PlantaeAraliaceaeHedera nepalensis Ref.
PlantaeAraliaceaeHedera rhombea Ref.
PlantaeAraliaceaeKalopanax pictus Ref.
PlantaeLardizabalaceaeAkebia quinata Ref.
PlantaeRanunculaceaeCaltha palustris Ref.
PlantaeRanunculaceaeCaltha polypetala Ref.
PlantaeRanunculaceaeClematis tibetana KUNTZ Ref.
PlantaeRanunculaceaePulsatilla cernua Ref.
PlantaeRanunculaceaePulsatilla koreana Ref.
PlantaeSapindaceaeElattostachys apetala Ref.
PlantaeSapindaceaeSapindus mukorossi Ref.
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