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 C1=C([C@H]2[C@]([C@H](C1)OC(=O)C)([C@H]([C@H]([C@@H](/C(=C\[C@H]1[C@]3([C@H]2OC(=O)C)[C@](C(=O)O1)(O3)C)/C)OC(=O)CCC)OC(=O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum sp. Ref.
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