input word = C00044055

Metabolite InformationStructural formula
Name 3beta-p-Hydroxybenzoyldehydrotumulosic acid
Formula C38H52O6
Mw 604.37638939
CAS RN 213764-76-2
C_ID C00044055 ,
InChIKey BMRXKURCHPMXTP-QCVWKEOZNA-N
InChICode InChI=1S/C38H52O6/c1-22(2)23(3)9-14-26(33(41)42)32-29(40)21-38(8)28-15-16-30-35(4,5)31(44-34(43)24-10-12-25(39)13-11-24)18-19-36(30,6)27(28)17-20-37(32,38)7/h10-13,15,17,22,26,29-32,39-40H,3,9,14,16,18-21H2,1-2,4-8H3,(H,41,42)/t26-,29-,30+,31+,32+,36-,37-,38+/m1/s1
SMILES c1c(ccc(c1)C(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1C2=CC[C@]2([C@]1(C[C@H]([C@@H]2[C@@H](CCC(=C)C(C)C)C(=O)O)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Poria cocos Ref.
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