input word = C00023458

Metabolite InformationStructural formula
Name Cycloanticopalic acid
Metasequoic acid B
Formula C20H30O2
Mw 302.2245802
CAS RN 109291-60-3
C_ID C00023458 ,
InChIKey PCLDEDSUWNZZDJ-RFSDKSJDNA-N
InChICode InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16-,17-,19+,20+/m0/s1
SMILES C1[C@@H]2[C@]([C@@H]3[C@](C1)([C@H](C(=C)CC3)CC/C(=C/C(=O)O)/C)C)(C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus strobus Ref.
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OrganismPinus strobus
ReferenceZinkel,Phytochem.,26,(1987),769