input word = C00049618

Metabolite InformationStructural formula
Name Argentinic acid H
Formula C42H64O10
Mw 728.44994826
CAS RN 229626-31-7
C_ID C00049618 ,
InChIKey AVHUXUDRBHEGJX-CIUMZSBJNA-N
InChICode InChI=1S/C42H64O10/c1-12-24(5)34(45)37(47)51-29-21-41(10)28(26-19-27(50-22-26)18-23(3)4)14-15-30(41)42(11)32(52-38(48)35(46)25(6)13-2)20-31(39(7,8)49)40(9,36(29)42)17-16-33(43)44/h12-13,15,18,26-29,31-32,34-36,45-46,49H,14,16-17,19-22H2,1-11H3,(H,43,44)/b24-12+,25-13+/t26-,27-,28+,29-,31+,32-,34-,35-,36-,40+,41+,42-/m1/s1
SMILES [C@@H]1([C@@]2([C@@H]([C@]([C@@H](C1)C(C)(C)O)(CCC(=O)O)C)[C@@H](C[C@@]1(C2=CC[C@H]1[C@@H]1C[C@H](OC1)C=C(C)C)C)OC(=O)[C@H](O)/C(=C/C)/C)C)OC(=O)[C@@H](/C(=C/C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAglaia argentea Ref.
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