input word = C00030739

Metabolite InformationStructural formula
Name Marianoside A
Formula C37H62O8
Mw 634.44446896
CAS RN 886437-20-3
C_ID C00030739 ,
InChIKey BQSKVEDRDUPKAI-VASVFGNKNA-N
InChICode InChI=1S/C37H62O8/c1-21(9-10-22(2)33(3,4)43)23-13-17-37(8)25-11-12-27-34(5,24(25)14-18-36(23,37)7)16-15-28(35(27,6)20-39)45-32-31(42)30(41)29(40)26(19-38)44-32/h21,23,26-32,38-43H,2,9-20H2,1,3-8H3/t21-,23-,26-,27-,28+,29-,30+,31-,32+,34+,35+,36-,37+/m1/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@@](C1)(C1=C(CC2)[C@]2([C@](CC1)([C@H](CC2)[C@H](C)CCC(=C)C(C)(C)O)C)C)C)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum GAERTH Ref.
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