input word = C00044565

Metabolite InformationStructural formula
Name Bartogenic acid
Formula C30H46O7
Mw 518.32435382
CAS RN 79355-89-8
C_ID C00044565 ,
InChIKey BBJQJXRZAZWPBL-HXQSXSHZNA-N
InChICode InChI=1S/C30H46O7/c1-25(2)11-13-30(24(36)37)14-12-27(4)16(20(30)22(25)33)7-8-18-26(3)15-17(31)21(32)29(6,23(34)35)19(26)9-10-28(18,27)5/h7,17-22,31-33H,8-15H2,1-6H3,(H,34,35)(H,36,37)/t17-,18-,19-,20-,21+,22+,26-,27-,28-,29-,30+/m1/s1
SMILES [C@@H]1([C@@H]([C@@]([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC([C@H]1O)(C)C)C(=O)O)C)C)C)(C(=O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBarringtonia racemosa Ref.
PlantaeLecythidaceaeBarringtonia speciosa Ref.
PlantaeMelastomataceaeMiconia trailii Ref.
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