input word = C00048629

Metabolite InformationStructural formula
Name Belizeanic acid
(+)-Belizeanic acid
Formula C44H72O14
Mw 824.49220701
CAS RN 1072081-84-5
C_ID C00048629 ,
InChIKey VSPRQFMIKADWCX-CZFOVJMENA-N
InChICode InChI=1S/C44H72O14/c1-25-21-35(57-44(23-25)36(48)16-14-32(56-44)24-42(6,53)41(51)52)26(2)9-10-30(45)11-12-31(46)13-15-34-38(50)37(49)29(5)40(55-34)33(47)22-28(4)39-27(3)17-19-43(58-39)18-7-8-20-54-43/h9-10,23,26-28,30-40,45-50,53H,5,7-8,11-22,24H2,1-4,6H3,(H,51,52)/b10-9+/t26-,27-,28+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39+,40+,42-,43+,44-/m1/s1
SMILES [C@H]1(C(=C)[C@H]([C@@H]([C@H](O1)CC[C@H](CC[C@@H](/C=C/[C@H]([C@H]1O[C@@]2(C=C(C1)C)O[C@@H](CC[C@H]2O)C[C@@](C(=O)O)(C)O)C)O)O)O)O)[C@@H](O)C[C@@H]([C@H]1O[C@@]2(CC[C@H]1C)OCCCC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--ProrocentraceaeProrocentrum belizeanum Ref.
zoom in