input word = C00031687

Metabolite InformationStructural formula
Name Collinsonidin
Hederagenin 3-O-beta-D-glucopyranosyl(1->3)-alpha-L-arabinopyranoside
Formula C41H66O13
Mw 766.4503422
CAS RN 116107-25-6
C_ID C00031687 ,
InChIKey OOEDWIOAWQLSNT-NGIGTIRUNA-N
InChICode InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-33-31(48)32(23(44)19-51-33)54-34-30(47)29(46)28(45)24(18-42)52-34/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39+,40+,41-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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