input word = C00047680

Metabolite InformationStructural formula
Name 6,7-Dehydroporicoic acid H
(-)-6,7-Dehydroporicoic acid H
Formula C31H46O5
Mw 498.33452458
CAS RN 1186498-36-1
C_ID C00047680 ,
InChIKey HYCQUZBUDTVVSJ-ARKWLHFINA-N
InChICode InChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h11-12,18,21-22,25,27,32H,3,5,9-10,13-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
SMILES C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(=C)C)C=C3)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
--Poria cocos Ref.
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OrganismPhellodendron amurense
Referencehttps://doi.org/10.1002/jssc.201300794