input word = C00050192

Metabolite InformationStructural formula
Name Picfeltarraenin IB
Formula C42H64O14
Mw 792.42960675
CAS RN 97230-46-1
C_ID C00050192 ,
InChIKey YRQJYHITIWJZQN-RNMCZZOHNA-N
InChICode InChI=1S/C42H64O14/c1-18(2)23-14-26(45)42(9,56-23)35-22(44)15-39(6)25-12-10-20-21(41(25,8)27(46)16-40(35,39)7)11-13-28(38(20,4)5)54-37-34(32(50)30(48)24(17-43)53-37)55-36-33(51)31(49)29(47)19(3)52-36/h10,14,18-19,21-22,24-25,28-37,43-44,47-51H,11-13,15-17H2,1-9H3/t19-,21+,22+,24+,25-,28+,29-,30+,31+,32-,33+,34+,35-,36-,37-,39-,40+,41-,42-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@]2(C(=O)C[C@]2([C@]3(C[C@H]([C@@H]2[C@]2(OC(=CC2=O)C(C)C)C)O)C)C)C)C1(C)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaePicria fel-terrae Ref.
PlantaePlantaginaceaePicria felterrae Ref.
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