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 CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBarringtonia racemosa Ref.
PlantaeLecythidaceaeBarringtonia speciosa Ref.
PlantaeMelastomataceaeMiconia trailii Ref.
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OrganismMiconia trailii
ReferenceZhang,J.Nat.Prod.,66,(2003),39