input word = C00032291

Metabolite InformationStructural formula
Name Tarecilioside C
(+)-Tarecilioside C
Formula C42H72O15
Mw 816.48712163
CAS RN 1064656-45-6
C_ID C00032291 ,
InChIKey DTEONYNOXVCICB-YAZTYFPPNA-N
InChICode InChI=1S/C42H72O15/c1-19(8-9-25(47)38(4,5)57-36-33(53)31(51)29(49)23(17-44)55-36)27-21(46)15-40(7)34-20(45)14-24-37(2,3)26(56-35-32(52)30(50)28(48)22(16-43)54-35)10-11-41(24)18-42(34,41)13-12-39(27,40)6/h19-36,43-53H,8-18H2,1-7H3/t19-,20+,21+,22-,23-,24+,25-,26+,27+,28+,29+,30+,31+,32-,33-,34+,35+,36+,39-,40+,41-,42+/m1/s1
SMILES C[C@H](CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTarenna gracilipes (HAY.) OHWI Ref.
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