input word = C00003505

Metabolite InformationStructural formula
Name Barringtogenol C
Formula C30H50O5
Mw 490.36582471
CAS RN 17304-24-4
C_ID C00003505 ,
InChIKey AYDKOFQQBHRXEW-BJBSMLRFNA-N
InChICode InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)([C@H]([C@@H](C(C1)(C)C)O)O)CO)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBarringtonia acutangula Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeStyracaceaeStyrax japonica Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
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