input word = C00043088

Metabolite InformationStructural formula
Name Trilobatin A
(-)-Trilobatin A
Formula C26H26O14
Mw 562.13225554
CAS RN 217176-37-9
C_ID C00043088 ,
InChIKey ZRVQPXBHLQIZMJ-MIHAGHHINA-N
InChICode InChI=1S/C26H26O14/c27-13-2-1-9(4-14(13)28)20-11-6-16(30)15(29)5-10(11)3-12(21(20)25(36)37)26(38)40-23-19(7-17(31)24(34)35)39-8-18(32)22(23)33/h1-6,17-23,27-33H,7-8H2,(H,34,35)(H,36,37)/t17-,18-,19+,20+,21+,22-,23-/m0/s1
SMILES c1(c(cc2c(c1)[C@H]([C@@H](C(=C2)C(=O)O[C@@H]1[C@H]([C@H](CO[C@@H]1C[C@@H](C(=O)O)O)O)O)C(=O)O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLepidoziaceaeBazzania trilobata Ref.
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OrganismBazzania trilobata
ReferenceMartini,Phytochem.,49,(1998),1139