input word = C00042304

Metabolite InformationStructural formula
Name Briaranolide B
(+)-Briaranolide B
Formula C32H42O13
Mw 634.26254143
CAS RN 866087-86-7
C_ID C00042304 ,
InChIKey XQKIYBRTLSAZTP-CDETXAGDNA-N
InChICode InChI=1S/C32H42O13/c1-10-11-23(37)44-25-16(3)14-22-32(31(9,45-32)29(38)43-22)27(41-19(6)35)24-15(2)12-13-21(39-17(4)33)30(24,8)28(42-20(7)36)26(25)40-18(5)34/h12,14,21-22,24-28H,10-11,13H2,1-9H3/b16-14-/t21-,22-,24+,25+,26-,27-,28-,30-,31-,32-/m0/s1
SMILES CCCC(=O)O[C@@H]1/C(C)=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](OC(C)=O)[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
zoom in