input word = C00043010

Metabolite InformationStructural formula
Name Snatzkein D
(-)-Snatzkein D
Formula C48H80O19
Mw 960.52938038
CAS RN 214976-87-1
C_ID C00043010 ,
InChIKey CCBYCBXQBUVXFT-QDKPQKTJNA-N
InChICode InChI=1S/C48H80O19/c1-43(2)26-11-14-47(7)27(45(26,5)13-12-28(43)65-41-38(35(57)32(54)25(20-51)64-41)66-39-36(58)33(55)30(52)23(18-49)62-39)9-8-22-29-21(44(3,4)61)10-15-48(29,17-16-46(22,47)6)42(60)67-40-37(59)34(56)31(53)24(19-50)63-40/h21-41,49-59,61H,8-20H2,1-7H3/t21-,22-,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,45-,46-,47-,48+/m1/s1
SMILES C1[C@@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO)(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@@]1([C@H]2[C@@H](CC1)C(C)(C)O)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeArenaria filicaulis Ref.
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OrganismArenaria filicaulis
ReferenceElgamal,Phytochem.,49,(1998),189