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=C1[C@@H](O)[C@H](O)C(CC[C@@H](O)CC[C@H](O)/C=C/[C@@H](C)[C@@H]2CC(C)=C[C@@]3(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]3O)O2)O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--ProrocentraceaeProrocentrum belizeanum Ref.
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