input word = C00046683

Metabolite InformationStructural formula
Name Comnostin D
(+)-Comnostin D
Formula C29H44O5
Mw 472.31887452
CAS RN 263842-19-9
C_ID C00046683 ,
InChIKey NGZCNRIYOUJSLA-XAEURRPTNA-N
InChICode InChI=1S/C29H44O5/c1-18-10-13-26(2)22(27(18,3)17-20-16-19(24(31)32)8-9-21(20)30)11-14-28(4)23(26)12-15-29(28,5)25(33-6)34-7/h8-9,16,18,22-23,25,30H,10-15,17H2,1-7H3,(H,31,32)/t18-,22+,23-,26+,27-,28-,29+/m1/s1
SMILES C1[C@]([C@]2([C@H](C1)[C@@]1([C@H](CC2)[C@@]([C@@H](CC1)C)(Cc1cc(ccc1O)C(=O)O)C)C)C)(C(OC)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc commune Ref.
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