input word = C00030740

Metabolite InformationStructural formula
Name Marianoside B
(-)-Marianoside B
Formula C37H52O6
Mw 592.37638939
CAS RN 886437-21-4
C_ID C00030740 ,
InChIKey PHOVCZWDVRTEJJ-RRYRNIOWNA-N
InChICode InChI=1S/C37H62O6/c1-21(2)22(3)10-11-23(4)24-14-18-37(9)26-12-13-28-34(5,6)29(16-17-35(28,7)25(26)15-19-36(24,37)8)43-33-32(41)31(40)30(39)27(20-38)42-33/h21,23-24,27-33,38-41H,3,10-20H2,1-2,4-9H3/t23-,24-,27-,28-,29+,30-,31+,32-,33+,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)C)C)C)(C)C)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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