input word = C00032293

Metabolite InformationStructural formula
Name Tarecilioside E
(+)-Tarecilioside E
18-Deoxytarecilioside D
Formula C41H70O14
Mw 786.47655695
CAS RN 1064656-55-8
C_ID C00032293 ,
InChIKey BHRNXASDOAEKSN-YCSLZMEZNA-N
InChICode InChI=1S/C41H70O14/c1-19(8-9-25(46)37(4,5)55-34-31(50)28(47)22(45)17-52-34)27-21(44)15-39(7)33-20(43)14-24-36(2,3)26(54-35-32(51)30(49)29(48)23(16-42)53-35)10-11-40(24)18-41(33,40)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,38-,39+,40-,41+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H]([C@H](C2)O)[C@]2([C@@](CC1)(C)[C@H]([C@H](C2)O)[C@@H](CC[C@H](C(C)(O[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)C)O)C)C)C3)(C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTarenna gracilipes (HAY.) OHWI Ref.
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