input word = C00046094

Metabolite InformationStructural formula
Name Longispinogenin 3-O-beta-D-glucuronopyranoside
Luffariolide H
(+)-Luffariolide H
Formula C42H68O14
Mw 796.46090688
CAS RN 330595-34-1
C_ID C00046094 ,
InChIKey WOLHSDQNDXNFPE-KJGQWMSTNA-N
InChICode InChI=1S/C42H68O14/c1-37(2)14-15-42(19-44)21(16-37)20-8-9-24-39(5)12-11-26(38(3,4)23(39)10-13-40(24,6)41(20,7)17-25(42)45)54-36-31(50)32(30(49)33(56-36)34(51)52)55-35-29(48)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33-,35-,36+,39-,40+,41+,42+/m0/s1
SMILES CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[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)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeGymnema sylvestre Ref.
--Luffariella sp. Ref.
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