input word = C00046681

Metabolite InformationStructural formula
Name Comnostin B
(+)-Comnostin B
Formula C27H38O4
Mw 426.2770097
CAS RN 263842-17-7
C_ID C00046681 ,
InChIKey JBBYKAGPJLHVPI-ZGARPFJJNA-N
InChICode InChI=1S/C27H38O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,16-17,21-22,29H,8-13,15H2,1-5H3,(H,30,31)/t17-,21-,22-,24+,25+,26-,27-/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=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc commune Ref.
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OrganismNostoc commune
ReferenceJaki,J.Nat.Prod.,63,(2000),339