input word = C00045991

Metabolite InformationStructural formula
Name Halityloside D
Formula C39H68O14
Mw 760.46090688
CAS RN 102046-49-1
C_ID C00045991 ,
InChIKey WRQWUNHMUXGXID-IEERZSLMNA-N
InChICode InChI=1S/C39H68O14/c1-18(2)24(51-36-33(30(45)25(16-40)52-36)53-35-32(49-7)31(46)26(48-6)17-50-35)9-8-19(3)20-14-22(42)34-37(20,4)13-11-27-38(5)12-10-21(41)29(44)28(38)23(43)15-39(27,34)47/h18-36,40-47H,8-17H2,1-7H3/t19-,20-,21+,22-,23+,24+,25+,26-,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37-,38-,39+/m1/s1
SMILES CO[C@H]1[C@H](O[C@H]2[C@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)[C@H](O)[C@@H]5[C@@H](O)C[C@]34O)C(C)C)O[C@@H](CO)[C@@H]2O)OC[C@@H](OC)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
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