input word = C00030705

Metabolite InformationStructural formula
Name Macrophyllic acid
Formula C40H54O6
Mw 630.39203946
CAS RN 2785-58-2
C_ID C00030705 ,
InChIKey ITNCNPITYLLMNG-UHFFFAOYNA-N
InChICode InChI=1S/C40H54O6/c1-21(2)31-23-11-13-29-37(5,15-9-17-39(29,7)35(43)44)27(23)19-25(33(31)41)26-20-28-24(32(22(3)4)34(26)42)12-14-30-38(28,6)16-10-18-40(30,8)36(45)46/h19-22,29-30,41-42H,9-18H2,1-8H3,(H,43,44)(H,45,46)/t29-,30+,37+,38-,39-,40+
SMILES c1(cc2c(c(c1O)C(C)C)CC[C@H]1[C@@]2(CCC[C@]1(C)C(=O)O)C)c1cc2c(c(c1O)C(C)C)CC[C@@H]1[C@]2(CCC[C@@]1(C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePodocarpaceaePodocarpus lambertianus Ref.
PlantaePodocarpaceaePodocarpus macrophyllus D.DON Ref.
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OrganismPodocarpus macrophyllus D.DON
ReferenceSato,Chem.Pharm.Bull.,56,(2008),1691