input word = C00018130

Metabolite InformationStructural formula
Name Papulacandin D
Formula C31H42O10
Mw 574.27779756
CAS RN 61036-49-5
C_ID C00018130 ,
InChIKey XKSZJTQIZHUMGA-BPDSRIFJNA-N
InChICode InChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5-,9-6+,14-10+,20-12-/t19-,23+,25+,28+,29-,30-,31-/m0/s1
SMILES C(O)[C@@H]1[C@@H](O)[C@@H]([C@@H]([C@@]2(O1)c1c(CO2)cc(cc1O)O)O)OC(=O)/C=C/C=C/C[C@H](/C(=C\C=C/CC[C@@H](C)CC)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAizoaceaePapularia sphaerosperma Ref.
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OrganismPapularia sphaerosperma
ReferenceTraxler,J. Antibiotics,30,(1977),289