input word = C00015989

Metabolite InformationStructural formula
Name (-)-Bisabosqual C
Bisabosqual C
Formula C23H28O6
Mw 400.18858863
CAS RN 180027-48-9
C_ID C00015989 ,
InChIKey FGBBGDWEXFKAKY-MTJFMJFWNA-N
InChICode InChI=1S/C23H28O6/c1-13(2)6-5-8-22(4)17-7-9-21(3,26)20-23(17,27)18-16(29-22)10-14(11-24)15(12-25)19(18)28-20/h6,10-12,17,20,26-27H,5,7-9H2,1-4H3/t17-,20-,21-,22-,23+/m0/s1
SMILES CC(C)=CCC[C@]1(C)Oc2cc(C=O)c(C=O)c3c2[C@@]2(O)[C@@H](O3)[C@@](C)(O)CC[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stachybotrys ruwenzoriensis RF6853 Ref.
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