input word = C00031294

Metabolite InformationStructural formula
Name Saponaceol A
(-)-Saponaceol A
Formula C46H69NO11
Mw 811.48706205
CAS RN 771533-77-8
C_ID C00031294
InChIKey ZEGGEDOMPWZJBY-OJCREALKSA-N
InChICode InChI=1S/C46H69NO11/c1-41(2)33-17-16-29-30(22-34(49)46(8)28(19-20-45(29,46)7)27-15-18-35(42(3,4)54)57-39(27)52)44(33,6)23-32(48)38(41)58-37(51)25-43(5,55)24-36(50)47-31(40(53)56-9)21-26-13-11-10-12-14-26/h10-14,27-28,31-35,38-39,48-49,52,54-55H,15-25H2,1-9H3,(H,47,50)/t27-,28-,31?,32-,33+,34+,35-,38+,39?,43?,44-,45+,46+/m1/s1
SMILES CC(O)(C)[C@H](OC1O)CC[C@]1([H])[C@@]2([H])CC[C@@]([C@]2(C)[C@@H](O)C3)(C)C4=C3[C@]5(C)[C@](CC4)([H])C(C)(C)[C@@H](OC(CC(C)(O)CC(NC(CC6=CC=CC=C6)C(OC)=O)=O)=O)[C@H](O)C5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTricholomataceaeTricholoma saponaceum Ref.
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