input word = C00015987

Metabolite InformationStructural formula
Name (+)-Bisabosqual A
Bisabosqual A
Formula C23H28O5
Mw 384.193674
CAS RN 180027-46-7
C_ID C00015987 ,
InChIKey JBVANMOFCVQYLP-NBSBEFOHNA-N
InChICode InChI=1S/C23H28O5/c1-13(2)6-5-8-23(4)16-7-9-22(3,26)21-18(16)19-17(28-23)10-14(11-24)15(12-25)20(19)27-21/h6,10-12,16,18,21,26H,5,7-9H2,1-4H3/t16-,18+,21-,22+,23+/m1/s1
SMILES [C@H]12[C@@H]3[C@H]([C@@](CC1)(C)O)Oc1c3c(O[C@]2(CCC=C(C)C)C)cc(c1C=O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stachybotrys sp. RF-7260 Ref.
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