input word = C00045382

Metabolite InformationStructural formula
Name Poricoic acid B
Formula C30H44O5
Mw 484.31887452
CAS RN 137551-39-4
C_ID C00045382 ,
InChIKey NXAZWYWJZDFISF-ZYTXDZITNA-N
InChICode InChI=1S/C30H44O5/c1-18(2)9-8-10-20(27(34)35)26-24(31)17-30(7)23-12-11-21(19(3)4)28(5,15-14-25(32)33)22(23)13-16-29(26,30)6/h9,12-13,20-21,24,26,31H,3,8,10-11,14-17H2,1-2,4-7H3,(H,32,33)(H,34,35)/t20-,21+,24-,26+,28+,29-,30+/m1/s1
SMILES C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
--Poria cocos Ref.
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