input word = C00058271

Metabolite InformationStructural formula
Name Silymin B
Formula C30H46O5
Mw 486.33452458
CAS RN 926307-53-1
C_ID C00058271
InChIKey RCCQOGHOTOVXTP-GGHHKQCUSA-N
InChICode InChI=1S/C30H46O5/c1-25(2)15-18-17-8-9-19-27(5)11-10-21(31)26(3,4)20(27)14-22(32)29(19,7)28(17,6)12-13-30(18,24(34)35)16-23(25)33/h8,18-21,23,31,33H,9-16H2,1-7H3,(H,34,35)/t18-,19+,20-,21-,23-,27+,28+,29-,30+/m0/s1
SMILES CC1(C)[C@@H](O)C[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)C(C[C@@]5([H])C(C)(C)[C@@H](O)CC[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])C1)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilybum marianum Ref.
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