input word = C00041403

Metabolite InformationStructural formula
Name Bruguierin C
(+)-Bruguierin C
Formula C48H86O6
Mw 758.64244048
CAS RN 880162-10-7
C_ID C00041403 ,
InChIKey PNIOLRUIMUJAKL-BCIYCCHXNA-N
InChICode InChI=1S/C48H86O6/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-42(50)53-41-35-40(49)48(9)38(44(41,4)5)30-34-46(7)39(48)28-27-36-37(29-33-45(36,46)6)47(8,51)32-25-31-43(2,3)54-52/h25,31,36-41,49,51-52H,10-24,26-30,32-35H2,1-9H3/b31-25+/t36-,37+,38+,39?,40-,41+,45-,46-,47+,48+/m1/s1
SMILES [C@@H]1([C@]2([C@H](C([C@H](C1)OC(=O)CCCCCCCCCCCCCCCCC)(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@]1(CC[C@@H]2[C@](C/C=C/C(C)(C)OO)(O)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeBruguiera gymmorrhiza Ref.
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OrganismBruguiera gymmorrhiza
ReferenceHomhual,J.Nat.Prod.,69,(2006),421