input word = C00042311

Metabolite InformationStructural formula
Name Briaranolide I
(+)-Briaranolide I
Formula C26H32O9
Mw 488.20463262
CAS RN 866087-93-6
C_ID C00042311 ,
InChIKey MPKIEAMIIFXNDQ-HVDQMZETNA-N
InChICode InChI=1S/C26H32O9/c1-13-8-10-18(31-15(3)27)24(6)19(32-16(4)28)11-9-14(2)21(24)22(33-17(5)29)26-20(12-13)34-23(30)25(26,7)35-26/h8-10,12,18-22H,11H2,1-7H3/b10-8+,13-12-/t18-,19-,20-,21+,22-,24-,25-,26-/m0/s1
SMILES C1=C([C@H]2[C@]([C@H](C1)OC(=O)C)([C@H](/C=C/C(=C\[C@H]1[C@]3([C@H]2OC(=O)C)[C@](C(=O)O1)(O3)C)/C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
zoom in