input word = C00047676

Metabolite InformationStructural formula
Name 5alpha,8alpha-Peroxydehydrotumulosic acid
(+)-5alpha,8alpha-Peroxydehydrotumulosic acid
Formula C31H46O6
Mw 514.3294392
CAS RN 943225-53-4
C_ID C00047676 ,
InChIKey NWPSXIIQUKYLPR-JYMBVNDGNA-N
InChICode InChI=1S/C31H46O6/c1-18(2)19(3)9-10-20(25(34)35)24-21(32)17-29(8)28(24,7)13-11-22-27(6)14-12-23(33)26(4,5)31(27)16-15-30(22,29)36-37-31/h11,15-16,18,20-21,23-24,32-33H,3,9-10,12-14,17H2,1-2,4-8H3,(H,34,35)/t20-,21-,23+,24+,27-,28-,29-,30-,31-/m1/s1
SMILES C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Poria cocos Ref.
zoom in